 Entering Gaussian System, Link 0=g16
 Input=08_d-glucose_conformer021_STD_LCPBE_augccpVDZ.in
 Output=08_d-glucose_conformer021_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/08_d-glucose/Gau-37505.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/08_d-glucose/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     37506.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                27-Sep-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=42GB
 %chk=08_d-glucose_conformer021_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=029600000
 0,3/108=0296000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=296000000,108=296000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Sep 27 14:32:54 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "08_d-glucose_conformer021_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.802701000000      1.185868000000     -0.155223000000
  C                                                -1.539114000000     -0.058168000000      0.301617000000
  C                                                 0.694862000000      1.030292000000      0.045515000000
  C                                                 1.190748000000     -0.254953000000     -0.615577000000
  O                                                 0.429294000000     -1.375454000000     -0.150440000000
  C                                                -0.958807000000     -1.274656000000     -0.405424000000
  O                                                -1.212443000000      2.340377000000      0.564498000000
  H                                                -0.996847000000      1.328656000000     -1.227279000000
  O                                                -2.912981000000      0.125709000000     -0.006195000000
  H                                                -1.394142000000     -0.197407000000      1.379285000000
  H                                                 0.904711000000      0.974487000000      1.119148000000
  O                                                 1.399422000000      2.110875000000     -0.544610000000
  C                                                 2.641121000000     -0.568017000000     -0.289807000000
  H                                                 1.084130000000     -0.152517000000     -1.704362000000
  O                                                -1.593558000000     -2.403373000000      0.110234000000
  H                                                -1.121572000000     -1.189787000000     -1.491375000000
  H                                                -2.171127000000      2.411548000000      0.483789000000
  H                                                -3.392257000000     -0.655851000000      0.292660000000
  H                                                 1.018230000000      2.925417000000     -0.195277000000
  O                                                 2.840914000000     -0.797107000000      1.093949000000
  H                                                 3.260544000000      0.283592000000     -0.566380000000
  H                                                 2.952873000000     -1.437215000000     -0.881027000000
  H                                                -1.324223000000     -3.177621000000     -0.397061000000
  H                                                 2.217854000000     -1.483716000000      1.361779000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1
 NAtoms=     24 NQM=       24 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          16           1          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  15.9949146   1.0078250  15.9949146   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   5.6000000   1.0000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   8.0000000   1.0000000   8.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          16          12           1          16           1           1           1           1          16
 AtmWgt=   1.0078250  15.9949146  12.0000000   1.0078250  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146
 NucSpn=           1           0           0           1           0           1           1           1           1           0
 AtZEff=   1.0000000   5.6000000   3.6000000   1.0000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   1.0000000   8.0000000   6.0000000   1.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000

  Atom        21          22          23          24
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Sep 27 14:32:54 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.802701    1.185868   -0.155223
      2          6           0       -1.539114   -0.058168    0.301617
      3          6           0        0.694862    1.030292    0.045515
      4          6           0        1.190748   -0.254953   -0.615577
      5          8           0        0.429294   -1.375454   -0.150440
      6          6           0       -0.958807   -1.274656   -0.405424
      7          8           0       -1.212443    2.340377    0.564498
      8          1           0       -0.996847    1.328656   -1.227279
      9          8           0       -2.912981    0.125709   -0.006195
     10          1           0       -1.394142   -0.197407    1.379285
     11          1           0        0.904711    0.974487    1.119148
     12          8           0        1.399422    2.110875   -0.544610
     13          6           0        2.641121   -0.568017   -0.289807
     14          1           0        1.084130   -0.152517   -1.704362
     15          8           0       -1.593558   -2.403373    0.110234
     16          1           0       -1.121572   -1.189787   -1.491375
     17          1           0       -2.171127    2.411548    0.483789
     18          1           0       -3.392257   -0.655851    0.292660
     19          1           0        1.018230    2.925417   -0.195277
     20          8           0        2.840914   -0.797107    1.093949
     21          1           0        3.260544    0.283592   -0.566380
     22          1           0        2.952873   -1.437215   -0.881027
     23          1           0       -1.324223   -3.177621   -0.397061
     24          1           0        2.217854   -1.483716    1.361779
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.516124   0.000000
     3  C    1.518945   2.498196   0.000000
     4  C    2.502345   2.886540   1.528005   0.000000
     5  O    2.842218   2.411271   2.428279   1.432371   0.000000
     6  C    2.478134   1.522007   2.872412   2.388419   1.414921
     7  O    1.420837   2.434921   2.371387   3.728759   4.124783
     8  H    1.098811   2.134211   2.137967   2.769038   3.241245
     9  O    2.366311   1.419884   3.719876   4.166154   3.666756
    10  H    2.148946   1.096254   2.765886   3.265646   2.655706
    11  H    2.141018   2.776151   1.095371   2.145370   2.712950
    12  O    2.420043   3.749112   1.418560   2.376073   3.640193
    13  C    3.867058   4.252540   2.540661   1.519117   2.358719
    14  H    2.784104   3.303674   2.147705   1.098778   2.083041
    15  O    3.684912   2.353631   4.126877   3.590943   2.283966
    16  H    2.744215   2.160954   3.254261   2.643437   2.058583
    17  H    1.945049   2.555802   3.211518   4.429564   4.637437
    18  H    3.209101   1.947163   4.428171   4.689301   3.913875
    19  H    2.518616   3.960895   1.937536   3.212657   4.341238
    20  O    4.332269   4.512036   3.007348   2.437100   2.774689
    21  H    4.182477   4.889472   2.741295   2.139277   3.307781
    22  H    4.638070   4.845448   3.470689   2.138526   2.627931
    23  H    4.401194   3.203953   4.688188   3.861971   2.526549
    24  H    4.307171   4.155832   3.220604   2.544551   2.344669
                    6          7          8          9         10
     6  C    0.000000
     7  O    3.751472   0.000000
     8  H    2.730225   2.068943   0.000000
     9  O    2.437048   2.849960   2.570933   0.000000
    10  H    2.129593   2.671561   3.046455   2.081065   0.000000
    11  H    3.294793   2.579851   3.040901   4.069594   2.593402
    12  O    4.128249   2.846863   2.611515   4.777823   4.102869
    13  C    3.670448   4.902912   4.208448   5.604439   4.382530
    14  H    2.668338   4.078786   2.598451   4.351790   3.956353
    15  O    1.393849   4.780666   4.009120   2.854941   2.552752
    16  H    1.101356   4.086188   2.535322   2.673095   3.049558
    17  H    3.981020   0.964704   2.340800   2.452650   2.865705
    18  H    2.606131   3.715221   3.462148   0.964290   2.320213
    19  H    4.646875   2.428051   2.770417   4.829962   4.248625
    20  O    4.112670   5.153041   4.963404   5.930364   4.286812
    21  H    4.500774   5.051422   4.433320   6.200899   5.067847
    22  H    3.943839   5.805997   4.834276   6.133213   5.053976
    23  H    1.937750   5.602267   4.593797   3.686315   3.470154
    24  H    3.641138   5.198681   4.994693   5.548610   3.834242
                   11         12         13         14         15
    11  H    0.000000
    12  O    2.074658   0.000000
    13  C    2.716541   2.963647   0.000000
    14  H    3.045413   2.562689   2.144254   0.000000
    15  O    4.320786   5.455748   4.632609   3.940701   0.000000
    16  H    3.950283   4.259829   3.998528   2.446715   2.064149
    17  H    3.453926   3.727845   5.712617   4.686057   4.863804
    18  H    4.669584   5.596068   6.062065   4.927421   2.514444
    19  H    2.355149   0.964790   3.853154   3.428609   5.942287
    20  O    2.624512   3.635813   1.416750   3.366353   4.817917
    21  H    2.977967   2.608297   1.088768   2.494388   5.589266
    22  H    3.743257   3.887844   1.096465   2.412577   4.752483
    23  H    4.950458   5.950479   4.748209   4.081722   0.964028
    24  H    2.797495   4.150329   1.935303   3.529680   4.115701
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.239393   0.000000
    18  H    2.936644   3.307057   0.000000
    19  H    4.815966   3.301089   5.702277   0.000000
    20  O    4.747567   5.982334   6.286051   4.340676   0.000000
    21  H    4.714807   5.927403   6.773497   3.484958   2.025017
    22  H    4.127329   6.552181   6.499904   4.821375   2.079135
    23  H    2.278174   5.721185   3.333437   6.540250   5.023776
    24  H    4.402119   5.933557   5.770764   4.827419   0.965074
                   21         22         23         24
    21  H    0.000000
    22  H    1.776187   0.000000
    23  H    5.747065   4.642929   0.000000
    24  H    2.815737   2.360634   4.302225   0.000000
 Stoichiometry    C6H12O6
 Framework group  C1[X(C6H12O6)]
 Deg. of freedom    66
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.89D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.802701    1.185868   -0.155223
      2          6           0       -1.539114   -0.058168    0.301617
      3          6           0        0.694862    1.030292    0.045515
      4          6           0        1.190748   -0.254953   -0.615577
      5          8           0        0.429294   -1.375454   -0.150440
      6          6           0       -0.958807   -1.274656   -0.405424
      7          8           0       -1.212443    2.340377    0.564498
      8          1           0       -0.996847    1.328656   -1.227279
      9          8           0       -2.912981    0.125709   -0.006195
     10          1           0       -1.394142   -0.197407    1.379285
     11          1           0        0.904711    0.974487    1.119148
     12          8           0        1.399422    2.110875   -0.544610
     13          6           0        2.641121   -0.568017   -0.289807
     14          1           0        1.084130   -0.152517   -1.704362
     15          8           0       -1.593558   -2.403373    0.110234
     16          1           0       -1.121572   -1.189787   -1.491375
     17          1           0       -2.171127    2.411548    0.483789
     18          1           0       -3.392257   -0.655851    0.292660
     19          1           0        1.018230    2.925417   -0.195277
     20          8           0        2.840914   -0.797107    1.093949
     21          1           0        3.260544    0.283592   -0.566380
     22          1           0        2.952873   -1.437215   -0.881027
     23          1           0       -1.324223   -3.177621   -0.397061
     24          1           0        2.217854   -1.483716    1.361779
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.1719254           0.8169867           0.5340835
 Leave Link  202 at Mon Sep 27 14:32:54 2021, MaxMem=  5637144576 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     10     11     14     16     17     18     19     21     22
 Centers:      23     24
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6     13
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      7      9     12     15     20
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  36 primitive shells out of 432 were deleted.
 There are   408 symmetry adapted cartesian basis functions of A   symmetry.
 There are   384 symmetry adapted basis functions of A   symmetry.
   384 basis functions,   708 primitive gaussians,   408 cartesian basis functions
    48 alpha electrons       48 beta electrons
       nuclear repulsion energy       832.2526422312 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.296000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.296000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   24 NActive=   24 NUniq=   24 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Sep 27 14:32:56 2021, MaxMem=  5637144576 cpu:              13.8 elap:               1.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   384 RedAO= T EigKep=  5.61D-06  NBF=   384
 NBsUse=   384 1.00D-06 EigRej= -1.00D+00 NBFU=   384
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   408   408   408   408   408 MxSgAt=    24 MxSgA2=    24.
 Leave Link  302 at Mon Sep 27 14:32:57 2021, MaxMem=  5637144576 cpu:               4.5 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Sep 27 14:32:57 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "08_d-glucose_conformer021_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Sep 27 14:32:57 2021, MaxMem=  5637144576 cpu:               4.5 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636804468 LenY=  5636637563
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -685.459652036563    
 DIIS: error= 3.18D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -685.459652036563     IErMin= 1 ErrMin= 3.18D-03
 ErrMax= 3.18D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.89D-02 BMatP= 1.89D-02
 IDIUse=3 WtCom= 9.68D-01 WtEn= 3.18D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.445 Goal=   None    Shift=    0.000
 GapD=    0.445 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.01D-02 MaxDP=4.70D-01              OVMax= 2.16D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  9.93D-03    CP:  9.48D-01
 E= -685.475582209475     Delta-E=       -0.015930172912 Rises=F Damp=F
 DIIS: error= 1.35D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -685.475582209475     IErMin= 2 ErrMin= 1.35D-03
 ErrMax= 1.35D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.26D-03 BMatP= 1.89D-02
 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.35D-02
 Coeff-Com:  0.228D+00 0.772D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.225D+00 0.775D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=1.49D-03 MaxDP=8.27D-02 DE=-1.59D-02 OVMax= 8.97D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.21D-04    CP:  9.31D-01  1.11D+00
 E= -685.477195091636     Delta-E=       -0.001612882161 Rises=F Damp=F
 DIIS: error= 9.73D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -685.477195091636     IErMin= 3 ErrMin= 9.73D-04
 ErrMax= 9.73D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.09D-03 BMatP= 4.26D-03
 IDIUse=3 WtCom= 9.90D-01 WtEn= 9.73D-03
 Coeff-Com: -0.390D-01 0.411D+00 0.628D+00
 Coeff-En:   0.000D+00 0.311D+00 0.689D+00
 Coeff:     -0.386D-01 0.410D+00 0.629D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=6.80D-04 MaxDP=4.01D-02 DE=-1.61D-03 OVMax= 4.86D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.25D-04    CP:  9.27D-01  1.16D+00  1.25D+00
 E= -685.478714166964     Delta-E=       -0.001519075329 Rises=F Damp=F
 DIIS: error= 7.16D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -685.478714166964     IErMin= 4 ErrMin= 7.16D-05
 ErrMax= 7.16D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.47D-05 BMatP= 2.09D-03
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.667D-02-0.864D-02 0.506D-01 0.965D+00
 Coeff:     -0.667D-02-0.864D-02 0.506D-01 0.965D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=2.46D-04 MaxDP=2.01D-02 DE=-1.52D-03 OVMax= 1.14D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  8.97D-05    CP:  9.22D-01  1.17D+00  1.42D+00  1.12D+00
 E= -685.478734421795     Delta-E=       -0.000020254830 Rises=F Damp=F
 DIIS: error= 3.97D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -685.478734421795     IErMin= 5 ErrMin= 3.97D-05
 ErrMax= 3.97D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.18D-06 BMatP= 1.47D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.165D-02-0.447D-01-0.422D-01 0.378D+00 0.707D+00
 Coeff:      0.165D-02-0.447D-01-0.422D-01 0.378D+00 0.707D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=6.53D-05 MaxDP=5.59D-03 DE=-2.03D-05 OVMax= 3.92D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.16D-05    CP:  9.21D-01  1.17D+00  1.46D+00  1.17D+00  1.24D+00
 E= -685.478738041136     Delta-E=       -0.000003619341 Rises=F Damp=F
 DIIS: error= 9.26D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -685.478738041136     IErMin= 6 ErrMin= 9.26D-06
 ErrMax= 9.26D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.28D-07 BMatP= 3.18D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.109D-02-0.121D-01-0.172D-01 0.193D-01 0.215D+00 0.794D+00
 Coeff:      0.109D-02-0.121D-01-0.172D-01 0.193D-01 0.215D+00 0.794D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=1.57D-05 MaxDP=1.41D-03 DE=-3.62D-06 OVMax= 1.48D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.79D-06    CP:  9.21D-01  1.17D+00  1.47D+00  1.17D+00  1.34D+00
                    CP:  1.15D+00
 E= -685.478738324433     Delta-E=       -0.000000283297 Rises=F Damp=F
 DIIS: error= 5.22D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -685.478738324433     IErMin= 7 ErrMin= 5.22D-06
 ErrMax= 5.22D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.38D-08 BMatP= 2.28D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.206D-03 0.938D-03-0.138D-02-0.420D-01 0.151D-02 0.332D+00
 Coeff-Com:  0.708D+00
 Coeff:      0.206D-03 0.938D-03-0.138D-02-0.420D-01 0.151D-02 0.332D+00
 Coeff:      0.708D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=3.51D-06 MaxDP=2.76D-04 DE=-2.83D-07 OVMax= 5.24D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.81D-06    CP:  9.21D-01  1.17D+00  1.47D+00  1.17D+00  1.36D+00
                    CP:  1.17D+00  1.20D+00
 E= -685.478738371563     Delta-E=       -0.000000047131 Rises=F Damp=F
 DIIS: error= 1.31D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -685.478738371563     IErMin= 8 ErrMin= 1.31D-06
 ErrMax= 1.31D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.14D-09 BMatP= 4.38D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.449D-04 0.166D-02 0.152D-02-0.164D-01-0.240D-01 0.114D-01
 Coeff-Com:  0.223D+00 0.803D+00
 Coeff:     -0.449D-04 0.166D-02 0.152D-02-0.164D-01-0.240D-01 0.114D-01
 Coeff:      0.223D+00 0.803D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=1.25D-06 MaxDP=7.18D-05 DE=-4.71D-08 OVMax= 1.97D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.56D-07    CP:  9.21D-01  1.17D+00  1.47D+00  1.17D+00  1.36D+00
                    CP:  1.18D+00  1.28D+00  1.24D+00
 E= -685.478738375912     Delta-E=       -0.000000004349 Rises=F Damp=F
 DIIS: error= 3.36D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -685.478738375912     IErMin= 9 ErrMin= 3.36D-07
 ErrMax= 3.36D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.14D-10 BMatP= 3.14D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.320D-04 0.388D-03 0.567D-03-0.115D-02-0.681D-02-0.236D-01
 Coeff-Com:  0.202D-02 0.207D+00 0.821D+00
 Coeff:     -0.320D-04 0.388D-03 0.567D-03-0.115D-02-0.681D-02-0.236D-01
 Coeff:      0.202D-02 0.207D+00 0.821D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=6.16D-07 MaxDP=5.71D-05 DE=-4.35D-09 OVMax= 5.21D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.87D-07    CP:  9.21D-01  1.17D+00  1.47D+00  1.17D+00  1.36D+00
                    CP:  1.18D+00  1.31D+00  1.31D+00  1.11D+00
 E= -685.478738376173     Delta-E=       -0.000000000261 Rises=F Damp=F
 DIIS: error= 1.50D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -685.478738376173     IErMin=10 ErrMin= 1.50D-07
 ErrMax= 1.50D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.58D-11 BMatP= 2.14D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.104D-04 0.921D-05 0.114D-03 0.125D-02-0.758D-03-0.126D-01
 Coeff-Com: -0.211D-01 0.196D-01 0.380D+00 0.634D+00
 Coeff:     -0.104D-04 0.921D-05 0.114D-03 0.125D-02-0.758D-03-0.126D-01
 Coeff:     -0.211D-01 0.196D-01 0.380D+00 0.634D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=1.92D-07 MaxDP=2.08D-05 DE=-2.61D-10 OVMax= 1.61D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  5.49D-08    CP:  9.21D-01  1.17D+00  1.47D+00  1.17D+00  1.36D+00
                    CP:  1.17D+00  1.31D+00  1.32D+00  1.16D+00  1.15D+00
 E= -685.478738376244     Delta-E=       -0.000000000070 Rises=F Damp=F
 DIIS: error= 5.16D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -685.478738376244     IErMin=11 ErrMin= 5.16D-08
 ErrMax= 5.16D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.94D-12 BMatP= 5.58D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.102D-05-0.567D-04-0.486D-04 0.648D-03 0.753D-03-0.964D-03
 Coeff-Com: -0.777D-02-0.254D-01 0.682D-02 0.233D+00 0.793D+00
 Coeff:      0.102D-05-0.567D-04-0.486D-04 0.648D-03 0.753D-03-0.964D-03
 Coeff:     -0.777D-02-0.254D-01 0.682D-02 0.233D+00 0.793D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=7.12D-08 MaxDP=6.45D-06 DE=-7.05D-11 OVMax= 6.91D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.21D-08    CP:  9.21D-01  1.17D+00  1.47D+00  1.17D+00  1.36D+00
                    CP:  1.17D+00  1.31D+00  1.32D+00  1.18D+00  1.23D+00
                    CP:  1.23D+00
 E= -685.478738376212     Delta-E=        0.000000000032 Rises=F Damp=F
 DIIS: error= 8.05D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -685.478738376244     IErMin=12 ErrMin= 8.05D-09
 ErrMax= 8.05D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.80D-13 BMatP= 4.94D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.101D-05-0.912D-05-0.172D-04 0.565D-05 0.168D-03 0.726D-03
 Coeff-Com:  0.391D-03-0.438D-02-0.276D-01-0.137D-01 0.120D+00 0.924D+00
 Coeff:      0.101D-05-0.912D-05-0.172D-04 0.565D-05 0.168D-03 0.726D-03
 Coeff:      0.391D-03-0.438D-02-0.276D-01-0.137D-01 0.120D+00 0.924D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=1.28D-08 MaxDP=6.32D-07 DE= 3.16D-11 OVMax= 2.15D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  5.87D-09    CP:  9.21D-01  1.17D+00  1.47D+00  1.17D+00  1.36D+00
                    CP:  1.17D+00  1.31D+00  1.32D+00  1.18D+00  1.27D+00
                    CP:  1.30D+00  1.16D+00
 E= -685.478738376223     Delta-E=       -0.000000000011 Rises=F Damp=F
 DIIS: error= 3.62D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -685.478738376244     IErMin=13 ErrMin= 3.62D-09
 ErrMax= 3.62D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.23D-14 BMatP= 1.80D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.246D-06 0.134D-05-0.224D-05-0.481D-04 0.176D-05 0.323D-03
 Coeff-Com:  0.721D-03 0.409D-03-0.107D-01-0.224D-01-0.158D-01 0.329D+00
 Coeff-Com:  0.718D+00
 Coeff:      0.246D-06 0.134D-05-0.224D-05-0.481D-04 0.176D-05 0.323D-03
 Coeff:      0.721D-03 0.409D-03-0.107D-01-0.224D-01-0.158D-01 0.329D+00
 Coeff:      0.718D+00
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=4.31D-09 MaxDP=4.56D-07 DE=-1.11D-11 OVMax= 6.23D-08

 SCF Done:  E(RLC-PBE+HF-PBE) =  -685.478738376     A.U. after   13 cycles
            NFock= 13  Conv=0.43D-08     -V/T= 2.0051
 KE= 6.819746758180D+02 PE=-3.275132945137D+03 EE= 1.075426888712D+03
 Leave Link  502 at Mon Sep 27 14:40:09 2021, MaxMem=  5637144576 cpu:            3447.6 elap:             431.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   384
 NBasis=   384 NAE=    48 NBE=    48 NFC=     0 NFV=     0
 NROrb=    384 NOA=    48 NOB=    48 NVA=   336 NVB=   336

 **** Warning!!: The largest alpha MO coefficient is  0.64167193D+02

 Leave Link  801 at Mon Sep 27 14:40:10 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7447 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          24
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.69D-13 8.33D-09 XBig12= 1.00D+00 1.08D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.69D-13 8.33D-09 XBig12= 1.57D-01 4.11D-02.
     11 vectors produced by pass  2 Test12= 2.69D-13 8.33D-09 XBig12= 3.63D-02 2.34D-02.
     11 vectors produced by pass  3 Test12= 2.69D-13 8.33D-09 XBig12= 4.85D-03 1.10D-02.
     11 vectors produced by pass  4 Test12= 2.69D-13 8.33D-09 XBig12= 5.28D-04 2.45D-03.
     11 vectors produced by pass  5 Test12= 2.69D-13 8.33D-09 XBig12= 5.55D-05 8.57D-04.
     11 vectors produced by pass  6 Test12= 2.69D-13 8.33D-09 XBig12= 2.37D-06 1.89D-04.
     11 vectors produced by pass  7 Test12= 2.69D-13 8.33D-09 XBig12= 9.15D-08 3.15D-05.
     11 vectors produced by pass  8 Test12= 2.69D-13 8.33D-09 XBig12= 3.25D-09 4.66D-06.
     11 vectors produced by pass  9 Test12= 2.69D-13 8.33D-09 XBig12= 1.36D-10 9.14D-07.
      9 vectors produced by pass 10 Test12= 2.69D-13 8.33D-09 XBig12= 3.87D-12 1.82D-07.
      4 vectors produced by pass 11 Test12= 2.69D-13 8.33D-09 XBig12= 7.98D-14 2.05D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   123 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.112900D+03
      2  0.108248D+01  0.105545D+03
      3 -0.167683D+01  0.136336D+00  0.888082D+02
 Isotropic polarizability for W=    0.088559      102.42 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.206233D+02 -0.145706D+02  0.133459D+02
      2  -0.226578D+02  0.121702D+02  0.884770D+01
      3   0.203454D+01  0.240038D+01 -0.221936D+02
      4  -0.155562D+02 -0.103871D+02 -0.111152D+02
      5  -0.873026D+01 -0.101638D+02  0.279262D+02
      6  -0.834209D+01 -0.109719D+02 -0.484851D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.185698D+01 -0.864359D+01 -0.152856D+01
      2   0.124942D+02 -0.336567D+01  0.138774D+02
      3   0.255600D+01 -0.685103D+01  0.168523D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.951389D+00 -0.198196D+02  0.724889D+01
      2   0.220762D+02 -0.277306D+01  0.258916D+02
      3  -0.985687D+00 -0.122707D+02  0.182167D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.602370D+00 -0.680571D+00  0.526040D+00
      2  -0.680571D+00  0.107784D+01 -0.539653D-01
      3   0.526040D+00 -0.539653D-01 -0.298926D+00
 OR G Eigenvalues:    -1.1265    -0.0490     1.3521  Iso=    -0.0588
 Eigenvectors:
   (1)   0.825832   0.242503  -0.509112
   (2)   0.434123   0.302820   0.848433
   (3)  -0.359917   0.921679  -0.144802
 w=    0.088559 a.u., Optical Rotation Beta=     -0.0588 au.
 Molar Mass =    180.1572 grams/mole, [Alpha] ( 5145.0 A) =      -16.56 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   73920 ScalPx= 1.41D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   73920 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.38D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.48D-14 2.78D-09 XBig12= 1.00D+00 2.93D-01.
     30 vectors produced by pass  1 Test12= 4.48D-14 2.78D-09 XBig12= 4.76D-02 2.17D-02.
     30 vectors produced by pass  2 Test12= 4.48D-14 2.78D-09 XBig12= 1.86D-03 4.81D-03.
     30 vectors produced by pass  3 Test12= 4.48D-14 2.78D-09 XBig12= 3.71D-05 5.08D-04.
     30 vectors produced by pass  4 Test12= 4.48D-14 2.78D-09 XBig12= 1.06D-06 7.90D-05.
     30 vectors produced by pass  5 Test12= 4.48D-14 2.78D-09 XBig12= 2.35D-08 1.41D-05.
     30 vectors produced by pass  6 Test12= 4.48D-14 2.78D-09 XBig12= 3.09D-10 1.40D-06.
     30 vectors produced by pass  7 Test12= 4.48D-14 2.78D-09 XBig12= 3.31D-12 1.73D-07.
     23 vectors produced by pass  8 Test12= 4.48D-14 2.78D-09 XBig12= 2.91D-14 1.52D-08.
      1 vectors produced by pass  9 Test12= 4.48D-14 2.78D-09 XBig12= 8.51D-16 2.78D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   264 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   73920 ScalPx= 3.03D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   73920 ScalPx= 3.03D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   73920 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.27D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.112900D+03  0.108248D+01 -0.167683D+01
      2   0.108248D+01  0.105545D+03  0.136336D+00
      3  -0.167683D+01  0.136336D+00  0.888082D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.185698D+01 -0.864359D+01 -0.152856D+01
      2   0.124942D+02 -0.336567D+01  0.138774D+02
      3   0.255600D+01 -0.685103D+01  0.168523D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.206233D+02 -0.145706D+02  0.133459D+02
      2  -0.226578D+02  0.121702D+02  0.884770D+01
      3   0.203454D+01  0.240038D+01 -0.221936D+02
      4  -0.155562D+02 -0.103871D+02 -0.111152D+02
      5  -0.873026D+01 -0.101638D+02  0.279262D+02
      6  -0.834209D+01 -0.109719D+02 -0.484851D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.318341D+01  0.375318D+00  0.172934D+00 -0.408760D+00  0.246646D+01
      2   0.375318D+00  0.316812D+01  0.231577D+00  0.246646D+01 -0.141899D+01
      3   0.172934D+00  0.231577D+00  0.104579D+01  0.518782D+00 -0.118101D+01
                 6             7             8             9            10 
      1   0.518782D+00 -0.163166D+00  0.436917D+00  0.129080D+01  0.426009D+01
      2  -0.118101D+01  0.436917D+00 -0.242959D+01 -0.112415D+01 -0.655245D+00
      3  -0.429901D+00  0.129080D+01 -0.112415D+01  0.792055D+01 -0.794403D-01
                11            12            13            14            15 
      1  -0.655245D+00 -0.794403D-01 -0.739037D+00 -0.254149D+01 -0.179235D+00
      2  -0.223137D+01 -0.619227D-01 -0.254149D+01 -0.394307D+00  0.704686D+00
      3  -0.619227D-01 -0.249142D+01 -0.179235D+00  0.704686D+00  0.159839D+01
                16            17            18            19            20 
      1   0.846913D+00 -0.405950D+00 -0.168986D+01  0.259767D+01 -0.274416D+00
      2  -0.405950D+00  0.144531D+01  0.959637D+00 -0.274416D+00 -0.271359D+01
      3  -0.168986D+01  0.959637D+00 -0.745578D+01 -0.614667D-01  0.424383D+00
                21            22            23            24            25 
      1  -0.614667D-01 -0.860548D+00 -0.333928D+01  0.151789D+00  0.543479D+00
      2   0.424383D+00 -0.333928D+01  0.686893D+00  0.131617D+01  0.648376D+00
      3  -0.956431D+00  0.151789D+00  0.131617D+01  0.136347D+01 -0.137207D+01
                26            27            28            29            30 
      1   0.648376D+00 -0.137207D+01 -0.113745D+01  0.196762D+01 -0.573485D+00
      2   0.194600D+01  0.117607D+01  0.196762D+01  0.256031D+01 -0.117990D+00
      3   0.117607D+01 -0.718298D+01 -0.573485D+00 -0.117990D+00  0.304103D+00
                31            32            33            34            35 
      1   0.239654D+01  0.342430D+01  0.791578D+00 -0.183757D+01  0.427160D+00
      2   0.342430D+01 -0.103013D+01 -0.157390D+01  0.427160D+00 -0.203262D+01
      3   0.791578D+00 -0.157390D+01 -0.171802D+01  0.382559D+00 -0.735085D+00
                36            37            38            39            40 
      1   0.382559D+00  0.500162D+01 -0.157277D+01 -0.278924D+00 -0.328789D+01
      2  -0.735085D+00 -0.157277D+01  0.790495D-01 -0.337316D+00 -0.910066D+00
      3   0.710779D+01 -0.278924D+00 -0.337316D+00 -0.454940D+00 -0.308104D+00
                41            42            43            44            45 
      1  -0.910066D+00 -0.308104D+00  0.225732D+01  0.450842D+00  0.159592D+00
      2  -0.354926D+01  0.643004D+00  0.450842D+00  0.141835D+01 -0.338927D+00
      3   0.643004D+00  0.837996D+00  0.159592D+00 -0.338927D+00 -0.109052D+01
                46            47            48            49            50 
      1  -0.457053D+01 -0.703629D+00  0.364914D+00  0.115604D+01  0.240525D+01
      2  -0.703629D+00  0.783125D+00  0.460439D+00  0.240525D+01 -0.877466D+00
      3   0.364914D+00  0.460439D+00  0.159391D+01 -0.191077D+00 -0.940792D+00
                51            52            53            54            55 
      1  -0.191077D+00 -0.762381D+00 -0.331710D-01  0.164811D+01  0.499738D+01
      2  -0.940792D+00 -0.331710D-01 -0.166520D+01 -0.964531D+00 -0.908645D-01
      3  -0.221406D+01  0.164811D+01 -0.964531D+00  0.761847D+01  0.404103D+00
                56            57            58            59            60 
      1  -0.908645D-01  0.404103D+00  0.894719D+00 -0.139589D+01 -0.344018D+00
      2   0.668559D+00  0.290703D+00 -0.139589D+01  0.661378D+01  0.164959D+01
      3   0.290703D+00  0.664616D+00 -0.344018D+00  0.164959D+01  0.255059D+00
                61            62            63            64            65 
      1   0.132863D+01 -0.773315D+00 -0.661696D+00 -0.154350D+00  0.608055D-01
      2  -0.773315D+00  0.290832D+01  0.172383D+01  0.608055D-01 -0.883401D+00
      3  -0.661696D+00  0.172383D+01  0.572537D+00 -0.108570D+01  0.111902D+00
                66            67            68            69            70 
      1  -0.108570D+01  0.214745D+00 -0.712409D+00  0.102242D+00 -0.205603D+01
      2   0.111902D+00 -0.712409D+00  0.741169D+00 -0.997639D+00  0.324565D+00
      3  -0.818063D+00  0.102242D+00 -0.997639D+00  0.669366D+00 -0.967568D+00
                71            72            73            74            75 
      1   0.324565D+00 -0.967568D+00 -0.651119D+01  0.218377D+01 -0.994827D-01
      2  -0.187989D+01  0.949077D+00  0.218377D+01  0.806253D+00 -0.547235D+00
      3   0.949077D+00 -0.703872D+01 -0.994827D-01 -0.547235D+00  0.764817D+00
                76            77            78            79            80 
      1   0.498317D+01  0.473540D+00 -0.610886D+00 -0.249897D+01 -0.582879D+00
      2   0.473540D+00  0.356643D+01 -0.882376D+00 -0.582879D+00 -0.143349D+01
      3  -0.610886D+00 -0.882376D+00  0.782568D+00 -0.716398D+00  0.319997D+00
                81            82            83            84            85 
      1  -0.716398D+00 -0.481759D-01  0.231822D-01  0.107494D+01 -0.184129D+00
      2   0.319997D+00  0.231822D-01  0.602990D+00 -0.229896D-01  0.559007D+00
      3   0.294887D-01  0.107494D+01 -0.229896D-01  0.806283D+00 -0.407934D-01
                86            87            88            89            90 
      1   0.559007D+00 -0.407934D-01  0.202250D+01  0.114008D+00  0.956904D-01
      2  -0.504779D+00  0.858295D+00  0.114008D+00  0.157378D+01 -0.648527D+00
      3   0.858295D+00 -0.908143D+00  0.956904D-01 -0.648527D+00  0.740875D+01
                91            92            93            94            95 
      1   0.452129D+00 -0.209442D+00  0.107805D+01 -0.504340D-01  0.924007D+00
      2  -0.209442D+00  0.992004D+00  0.122066D-01  0.924007D+00 -0.307404D+00
      3   0.107805D+01  0.122066D-01  0.683536D+00  0.557366D-01  0.813815D+00
                96            97            98            99           100 
      1   0.557366D-01  0.220053D+01 -0.208057D+00  0.108882D+01  0.390664D+01
      2   0.813815D+00 -0.208057D+00  0.176955D+01 -0.581860D-01  0.187137D+01
      3  -0.107130D+00  0.108882D+01 -0.581860D-01  0.655908D+01 -0.106891D+01
               101           102           103           104           105 
      1   0.187137D+01 -0.106891D+01  0.796297D+00  0.333256D+01 -0.122867D-01
      2   0.421745D+01 -0.689214D-01  0.333256D+01 -0.769651D+00 -0.163785D+01
      3  -0.689214D-01  0.762378D+00 -0.122867D-01 -0.163785D+01 -0.933599D+00
               106           107           108           109           110 
      1  -0.178557D+01 -0.617296D+00  0.132935D+01  0.217348D+01 -0.197941D+01
      2  -0.617296D+00 -0.350373D+01  0.657146D+00 -0.197941D+01 -0.234596D+01
      3   0.132935D+01  0.657146D+00 -0.538092D+00  0.149462D+01 -0.250268D+00
               111           112           113           114           115 
      1   0.149462D+01 -0.164814D+01 -0.398844D+01 -0.665359D+00  0.260998D+01
      2  -0.250268D+00 -0.398844D+01  0.985421D+00  0.366707D+01 -0.735054D+00
      3  -0.721578D+00 -0.665359D+00  0.366707D+01  0.207533D+01 -0.312378D+01
               116           117           118           119           120 
      1  -0.735054D+00 -0.312378D+01  0.364543D+00 -0.164769D+00 -0.133735D+01
      2   0.352802D+01  0.258877D+01 -0.164769D+00 -0.442578D+00  0.665933D-01
      3   0.258877D+01 -0.329396D+00 -0.133735D+01  0.665933D-01 -0.237082D+00
               121           122           123           124           125 
      1  -0.100885D+00 -0.383533D+00 -0.229237D+00 -0.209845D+01 -0.252616D+00
      2  -0.383533D+00  0.625741D+00 -0.103346D+01 -0.252616D+00 -0.144958D+01
      3  -0.229237D+00 -0.103346D+01  0.540299D+00  0.520998D+00  0.389524D+00
               126           127           128           129           130 
      1   0.520998D+00 -0.263218D+01 -0.184818D+01  0.849147D+00 -0.143693D+01
      2   0.389524D+00 -0.184818D+01 -0.333297D+01 -0.206189D+00 -0.235963D+01
      3  -0.832527D+01  0.849147D+00 -0.206189D+00 -0.457029D+00 -0.122499D+00
               131           132           133           134           135 
      1  -0.235963D+01 -0.122499D+00  0.207940D+01  0.601465D+00 -0.105029D+01
      2   0.193845D+01  0.230018D+01  0.601465D+00  0.514685D+01 -0.813039D-01
      3   0.230018D+01  0.116769D+01 -0.105029D+01 -0.813039D-01  0.104360D+01
               136           137           138           139           140 
      1  -0.443545D+00 -0.434120D-01 -0.135460D+01  0.646415D-01 -0.601075D+00
      2  -0.434120D-01 -0.355806D+00 -0.291964D+00 -0.601075D+00  0.102211D+00
      3  -0.135460D+01 -0.291964D+00 -0.899466D+00  0.854748D-01 -0.892782D+00
               141           142           143           144           145 
      1   0.854748D-01 -0.248779D+01 -0.550586D+00 -0.147182D+01 -0.724025D+01
      2  -0.892782D+00 -0.550586D+00 -0.159775D+01 -0.410671D+00  0.267138D+01
      3   0.485195D+00 -0.147182D+01 -0.410671D+00 -0.769637D+01  0.622399D+00
               146           147           148           149           150 
      1   0.267138D+01  0.622399D+00  0.146607D+01 -0.122093D+01 -0.136384D+00
      2  -0.314822D+01 -0.548930D+00 -0.122093D+01  0.130602D+01 -0.889745D-02
      3  -0.548930D+00 -0.132318D+01 -0.136384D+00 -0.889745D-02  0.472038D+00
               151           152           153           154           155 
      1  -0.125878D+00 -0.171736D-01 -0.655198D+00 -0.491669D+01 -0.217582D+01
      2  -0.171736D-01 -0.182150D+00  0.547837D+00 -0.217582D+01 -0.214878D+01
      3  -0.655198D+00  0.547837D+00  0.468512D+00  0.674657D+00  0.418357D+00
               156           157           158           159           160 
      1   0.674657D+00 -0.437910D+01 -0.240816D+01  0.612329D+00  0.154834D+01
      2   0.418357D+00 -0.240816D+01 -0.318083D+01  0.641662D+00  0.781644D+00
      3  -0.112321D+01  0.612329D+00  0.641662D+00 -0.987721D+00 -0.115176D+01
               161           162           163           164           165 
      1   0.781644D+00 -0.115176D+01 -0.683900D+00  0.639512D+00  0.331127D+00
      2   0.104709D+01 -0.532428D+00  0.639512D+00 -0.179623D+01 -0.745064D-01
      3  -0.532428D+00  0.547383D+00  0.331127D+00 -0.745064D-01 -0.319269D+00
               166           167           168           169           170 
      1   0.163377D+01  0.416395D-02 -0.173706D+00  0.697856D+00 -0.156848D-01
      2   0.416395D-02  0.781682D+01  0.693243D+00 -0.156848D-01  0.192495D+01
      3  -0.173706D+00  0.693243D+00  0.144334D+01 -0.265342D-01  0.103523D+01
               171           172           173           174           175 
      1  -0.265342D-01  0.366241D+01  0.711561D+00  0.163684D+01  0.183576D+01
      2   0.103523D+01  0.711561D+00  0.195864D+01 -0.975085D+00  0.182165D+01
      3   0.235291D+00  0.163684D+01 -0.975085D+00  0.224938D+01 -0.453981D+00
               176           177           178           179           180 
      1   0.182165D+01 -0.453981D+00  0.150474D+01 -0.756742D+00  0.339100D+01
      2   0.156976D+01  0.117260D+00 -0.756742D+00 -0.424216D+00 -0.897475D+00
      3   0.117260D+00  0.126492D+01  0.339100D+01 -0.897475D+00  0.335181D+01
               181           182           183           184           185 
      1   0.427338D+01  0.218626D+01 -0.108542D+01  0.397668D+01  0.226439D+01
      2   0.218626D+01  0.188977D+01 -0.354143D+00  0.226439D+01  0.335568D+01
      3  -0.108542D+01 -0.354143D+00  0.111605D+01 -0.592147D+00 -0.129759D+01
               186           187           188           189           190 
      1  -0.592147D+00 -0.148810D+01 -0.354693D+00  0.138806D+01  0.208406D+01
      2  -0.129759D+01 -0.354693D+00 -0.105608D+01  0.729009D+00 -0.141335D+01
      3   0.112713D+01  0.138806D+01  0.729009D+00 -0.800166D+00 -0.152488D+01
               191           192           193           194           195 
      1  -0.141335D+01 -0.152488D+01 -0.290175D+01  0.306144D+01  0.138338D+01
      2   0.144414D+01  0.649291D+00  0.306144D+01 -0.502292D+01 -0.278397D+01
      3   0.649291D+00  0.105230D+01  0.138338D+01 -0.278397D+01 -0.311481D+01
               196           197           198           199           200 
      1  -0.233145D+01  0.132555D+01  0.190232D+01 -0.177680D+00 -0.715735D+00
      2   0.132555D+01 -0.248361D+01 -0.245144D+01 -0.715735D+00  0.179470D+01
      3   0.190232D+01 -0.245144D+01 -0.347466D+01 -0.306636D+00  0.357345D+00
               201           202           203           204           205 
      1  -0.306636D+00 -0.128309D+01 -0.233822D+00  0.127168D+00 -0.757261D+00
      2   0.357345D+00 -0.233822D+00 -0.924447D+01 -0.170993D+01 -0.104891D+00
      3   0.272937D+00  0.127168D+00 -0.170993D+01 -0.167808D+01 -0.281072D-01
               206           207           208           209           210 
      1  -0.104891D+00 -0.281072D-01 -0.207405D+01 -0.843726D+00  0.152563D+00
      2  -0.403861D+01 -0.184866D+01 -0.843726D+00 -0.156622D+01  0.834664D+00
      3  -0.184866D+01 -0.104091D+01  0.152563D+00  0.834664D+00 -0.151442D+01
               211           212           213           214           215 
      1  -0.213775D+01 -0.642045D+00  0.231229D+00  0.752939D+00  0.297585D+00
      2  -0.642045D+00 -0.300817D+01  0.153521D+01  0.297585D+00  0.146830D+01
      3   0.231229D+00  0.153521D+01 -0.199133D+01 -0.282202D+00 -0.984731D+00
               216 
      1  -0.282202D+00
      2  -0.984731D+00
      3   0.210960D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.188687D-01  0.108384D+00 -0.234184D+01 -0.743725D+00  0.157015D+00
      2  -0.275147D+00  0.291031D-01 -0.353849D+00  0.576992D+00  0.148300D+01
      3  -0.158316D+01 -0.551196D+00 -0.224443D+00  0.398898D+01  0.115312D+01
                 6             7             8             9            10 
      1   0.145007D+01 -0.108945D+01  0.375189D+01 -0.705715D+01 -0.581722D+00
      2   0.131564D+01 -0.350030D+01  0.244881D+00 -0.517567D+01 -0.150088D+01
      3  -0.141643D+00  0.311762D+00 -0.172982D+01  0.424449D+00 -0.177047D+01
                11            12            13            14            15 
      1  -0.108234D+01 -0.545945D+00  0.327598D+00  0.262088D+00 -0.179994D+01
      2  -0.938222D+00  0.217964D+01 -0.236486D+00 -0.135061D+01 -0.272149D+01
      3  -0.459879D+01  0.143283D+00  0.546733D+00  0.490293D+00  0.136766D+01
                16            17            18            19            20 
      1  -0.104348D+01  0.383764D+01 -0.145527D+01  0.167802D+00 -0.350009D+00
      2  -0.794322D+00 -0.143030D+01  0.102565D+02 -0.468220D+00  0.745660D+00
      3  -0.636937D+00  0.211095D+01  0.207553D+01  0.225892D+01 -0.953175D+00
                21            22            23            24            25 
      1   0.280051D+01 -0.117573D+00 -0.163841D+01 -0.170071D+01  0.233866D+01
      2   0.931114D+00 -0.106411D+01  0.590275D+00 -0.652147D+00 -0.436673D+01
      3  -0.429782D+00  0.407757D+01 -0.425678D+01 -0.222463D+01 -0.111492D+00
                26            27            28            29            30 
      1   0.161446D+01  0.598353D+01 -0.207041D+01 -0.704460D+00  0.110505D+01
      2   0.608312D+00 -0.316303D+01 -0.632117D+01  0.348740D+01 -0.117583D+01
      3  -0.807559D+00 -0.258680D+01 -0.654156D+01 -0.833932D+01 -0.590147D+00
                31            32            33            34            35 
      1  -0.729663D+00  0.374053D+00  0.230013D+01  0.249829D+00  0.378906D+01
      2   0.226166D+01 -0.105909D+01 -0.371411D+01 -0.482749D+01  0.203404D+00
      3  -0.495285D+01  0.115057D+01  0.310094D+01  0.167984D+00  0.260853D+01
                36            37            38            39            40 
      1  -0.718865D+00  0.134201D+01  0.172735D+00 -0.164920D+01  0.129169D+01
      2   0.110187D+02  0.344228D+01 -0.683789D+00  0.963138D+01 -0.204850D+01
      3   0.181169D+01 -0.747537D+01 -0.432567D+01  0.235757D+00  0.146790D+02
                41            42            43            44            45 
      1   0.224463D+01 -0.605632D+01  0.191286D+01  0.260970D+01  0.730455D+00
      2  -0.126959D+01  0.174441D+01 -0.493024D+01 -0.118656D+01  0.110646D+00
      3   0.512028D+01 -0.152206D+00 -0.253607D+01 -0.125485D+01 -0.353808D+00
                46            47            48            49            50 
      1   0.936796D+00 -0.124319D+01  0.231802D+01 -0.692159D+00 -0.251712D+01
      2  -0.319946D+01 -0.144473D+01 -0.616202D+01  0.797130D-02  0.227770D+01
      3   0.524978D+01  0.388086D+01 -0.387094D+00  0.208797D+01 -0.106507D+01
                51            52            53            54            55 
      1  -0.382898D+00  0.186397D+00  0.842864D+00  0.796288D+01 -0.793353D+00
      2   0.161274D+01 -0.625988D+01 -0.536060D+00 -0.925192D+01 -0.558615D+01
      3  -0.186074D+01  0.803543D+00 -0.113410D+01 -0.316551D+01  0.165602D+02
                56            57            58            59            60 
      1   0.379425D+00 -0.751664D+00  0.166530D+01 -0.195241D+01 -0.655285D+01
      2   0.225264D+01  0.168270D+01  0.427950D+00 -0.229786D+01 -0.180947D+01
      3  -0.259735D+01 -0.166670D+00  0.583113D+01  0.644162D+01  0.719854D+00
                61            62            63            64            65 
      1   0.623056D+00  0.128087D+01 -0.285176D+01  0.106764D+01  0.368338D+00
      2  -0.357772D+01 -0.138650D+01 -0.129671D+01  0.972985D+00 -0.440133D+00
      3   0.332360D+01  0.295295D+01  0.821006D+00 -0.808295D-01 -0.176855D+01
                66            67            68            69            70 
      1   0.716114D+00  0.633663D-01  0.134767D+01 -0.124630D+01  0.751604D+00
      2   0.183741D+01 -0.202215D-02  0.400779D+00 -0.205412D+00 -0.332741D+01
      3  -0.920833D+00  0.851941D+00 -0.276716D+00 -0.746886D+00 -0.270191D+01
                71            72            73            74            75 
      1   0.354468D+01  0.858790D+01  0.613633D+00 -0.197186D+00  0.549758D+00
      2  -0.339985D+00  0.615149D+01  0.410095D+01  0.225503D+01  0.485244D+01
      3  -0.176945D+01 -0.150725D+00  0.924241D+01 -0.269156D+01 -0.239327D+01
                76            77            78            79            80 
      1  -0.126201D+01  0.109323D+01 -0.183525D+01  0.858926D+00  0.278737D+01
      2   0.186638D+01  0.261955D+01 -0.370549D+01 -0.229298D+01 -0.135439D+01
      3   0.739718D+01  0.160436D+02 -0.262223D+01 -0.202264D+01 -0.576653D+01
                81            82            83            84            85 
      1   0.527124D-02  0.217346D+00  0.925682D+00  0.268637D+00  0.601492D+00
      2   0.213916D+01 -0.287761D+01  0.131000D+00 -0.995870D+00  0.598250D+00
      3   0.100134D+01 -0.496776D-02 -0.781172D-01 -0.246257D+00  0.177084D+01
                86            87            88            89            90 
      1  -0.320607D+00 -0.144728D+01  0.214059D+00  0.365802D+01  0.940338D+00
      2  -0.149472D+01  0.130179D+01 -0.471797D+01  0.751947D+00 -0.108992D+02
      3  -0.681290D+00  0.119783D+01 -0.448527D+00  0.219555D+01 -0.545189D+00
                91            92            93            94            95 
      1  -0.176422D+01  0.858895D+00 -0.101072D+01  0.417479D+00 -0.141860D+01
      2   0.175005D+00  0.648770D+00  0.548542D+00  0.108917D+01 -0.649577D-01
      3   0.117500D+01 -0.199754D+01  0.116845D+01  0.272306D+00  0.849196D+00
                96            97            98            99           100 
      1  -0.226753D+00 -0.180293D+01  0.404363D+01 -0.714391D+01  0.194359D+01
      2   0.188985D+00 -0.377399D+01  0.373742D+00  0.371950D+01 -0.137022D+00
      3  -0.488807D+00  0.256744D+01 -0.186982D+01  0.116015D+01  0.813303D+01
               101           102           103           104           105 
      1  -0.192158D+01 -0.394522D+01 -0.759281D+00  0.675449D+01 -0.150012D+01
      2  -0.313310D+00  0.471514D+01  0.981201D+00 -0.103081D+01  0.110837D+01
      3  -0.972151D+01 -0.214074D+01 -0.454577D-01  0.947309D+01  0.285726D+01
               106           107           108           109           110 
      1  -0.231854D+01  0.490286D+01  0.326846D+01  0.307411D+01  0.121364D+01
      2  -0.151206D+01  0.607502D+00 -0.136553D+01  0.900354D+01 -0.351603D+01
      3  -0.512625D+01  0.493282D+01  0.184273D+01  0.637160D+01  0.734135D+01
               111           112           113           114           115 
      1  -0.101609D+01  0.141582D+01  0.158169D+01 -0.360112D+01 -0.106837D+01
      2   0.115201D+01 -0.413039D+01  0.844927D+01  0.644339D+01 -0.769397D+01
      3  -0.846201D-01  0.171583D+02 -0.624398D+00 -0.956506D+01  0.573357D+00
               116           117           118           119           120 
      1  -0.279349D+01 -0.216510D+01  0.439047D-01  0.107209D+01  0.397724D+00
      2   0.656247D+01 -0.350973D+01 -0.238167D+01 -0.285404D+00  0.827966D-02
      3  -0.913492D+01 -0.571894D+01  0.296172D+00  0.488849D-01  0.264337D+00
               121           122           123           124           125 
      1   0.280247D+00 -0.150309D+01 -0.169547D+00  0.176466D+00  0.469242D+01
      2  -0.284544D-01 -0.203443D+01  0.798277D+00 -0.572360D+01  0.419326D+00
      3   0.231878D+01 -0.163571D+01  0.161004D+01  0.621706D+00  0.238241D+01
               126           127           128           129           130 
      1  -0.889826D+00  0.131095D+01 -0.321878D+00 -0.349375D+01  0.754049D+00
      2  -0.118463D+02 -0.240196D+01 -0.205983D+00  0.456426D+01  0.471120D+00
      3  -0.167810D+01  0.561153D+01 -0.710237D+01 -0.229428D+01  0.396208D+01
               131           132           133           134           135 
      1   0.109390D+02 -0.224292D+01 -0.151101D+01  0.560844D+01  0.534615D+01
      2  -0.398654D+01  0.485615D+00 -0.623532D+00  0.171146D+00 -0.253399D+01
      3   0.870592D+01  0.433001D+01 -0.600996D+01  0.819874D+01  0.280475D+01
               136           137           138           139           140 
      1  -0.183719D+01  0.187791D+00 -0.984773D+00  0.580491D+00 -0.168343D+01
      2   0.125040D+01  0.675467D+00  0.162948D+01  0.885441D+00  0.690808D+00
      3   0.946676D+00 -0.183910D+01  0.164845D+01 -0.465797D-01  0.159625D+01
               141           142           143           144           145 
      1   0.491473D+00 -0.693180D+00  0.523887D+01 -0.835019D+01 -0.271722D+00
      2  -0.107040D+01 -0.351559D+01 -0.211986D+00  0.926031D+01  0.457100D+01
      3  -0.983332D+00  0.326019D+01 -0.178724D+01  0.237419D+01 -0.182332D+02
               146           147           148           149           150 
      1  -0.454097D+00  0.332224D+01 -0.284129D-01  0.188908D+00 -0.866657D+00
      2  -0.108227D+01  0.300556D+01 -0.737119D+00  0.716595D+00 -0.785578D+00
      3  -0.644000D+00  0.781193D+00  0.194031D+01 -0.223867D+01 -0.683773D+00
               151           152           153           154           155 
      1   0.126220D+01 -0.265568D+00 -0.775160D+00  0.851550D-02  0.348189D-01
      2   0.359166D+00 -0.832858D+00 -0.418566D+00 -0.218166D+01 -0.150865D+01
      3  -0.853131D+00 -0.639342D+00 -0.503980D+00 -0.742633D+01 -0.827967D+01
               156           157           158           159           160 
      1  -0.783267D+00  0.437865D+00 -0.896824D+00 -0.102526D+01 -0.337397D+00
      2   0.391996D+01 -0.225014D+01 -0.231730D+01  0.408766D+01  0.227707D+01
      3   0.165155D+01 -0.690128D+01 -0.137449D+02  0.228954D+01  0.288019D+01
               161           162           163           164           165 
      1   0.847007D+00  0.389204D+00 -0.158297D+01  0.181306D+01  0.174714D+01
      2   0.162127D+01 -0.147303D+01  0.188877D+00 -0.950497D-02 -0.647597D+00
      3   0.416018D+01 -0.140519D+01 -0.513533D+01  0.465780D+01  0.175634D+01
               166           167           168           169           170 
      1   0.101470D+01 -0.655210D+01 -0.536758D+01  0.430842D+00 -0.286427D+01
      2  -0.269360D-02  0.681991D+00  0.132260D+01 -0.112067D+01  0.100733D+01
      3   0.660532D+01 -0.133143D+02 -0.209883D+01  0.316626D+01 -0.378923D+01
               171           172           173           174           175 
      1  -0.147880D+01  0.242064D+01  0.306805D+01  0.181541D+01  0.122620D+01
      2   0.371847D+00 -0.386133D+00 -0.540513D+01  0.117276D+02 -0.427499D+01
      3  -0.164680D+01 -0.775147D+01 -0.998832D+01  0.232979D+01 -0.611099D+01
               176           177           178           179           180 
      1   0.352933D+01 -0.361076D+01  0.351438D+00  0.474811D+01  0.478933D+01
      2  -0.195300D+01  0.377904D+01  0.405620D+01 -0.318903D+00  0.118802D+02
      3  -0.544348D+01  0.120376D+00  0.155156D+01  0.538298D+00 -0.446410D-01
               181           182           183           184           185 
      1  -0.203477D+01 -0.159790D+01 -0.362003D+00 -0.176423D+01 -0.316991D+01
      2  -0.681861D+00  0.113699D+00  0.388384D+01  0.115738D+01 -0.264126D+01
      3  -0.794196D+01 -0.808557D+01  0.168943D+01 -0.653902D+01 -0.137758D+02
               186           187           188           189           190 
      1   0.516552D-01  0.274745D+00  0.231694D+01 -0.648477D+00  0.130863D+00
      2   0.413726D+01  0.178907D+01  0.197438D+01 -0.125310D+01 -0.301518D+01
      3   0.431921D+01  0.139556D+01  0.381914D+01 -0.269939D+01  0.234075D+01
               191           192           193           194           195 
      1  -0.111206D+01  0.842445D+00 -0.134433D+01  0.314388D+01 -0.243513D+01
      2   0.126015D+01  0.278847D+01  0.892901D+00 -0.585144D+01 -0.929167D+01
      3  -0.462234D+01 -0.105189D+01 -0.403207D+01  0.130093D+02  0.692188D+01
               196           197           198           199           200 
      1   0.392270D+00  0.166155D+01 -0.158937D+01 -0.248718D+00  0.176912D+01
      2   0.181040D+01 -0.612927D+01 -0.905960D+01  0.773445D+00 -0.180075D+00
      3  -0.126210D+01  0.661144D+01  0.586938D+01 -0.222789D+01  0.359819D+01
               201           202           203           204           205 
      1   0.169184D+01  0.341431D+00 -0.709796D+01 -0.619074D+01  0.179252D+00
      2  -0.209495D+00 -0.688667D+00  0.243537D+01  0.218639D+01 -0.101460D+01
      3   0.131729D+01  0.460071D+01 -0.150674D+02 -0.353862D+01  0.263035D+01
               206           207           208           209           210 
      1  -0.524995D+01 -0.325058D+01 -0.207386D+01 -0.298733D+01 -0.690430D+00
      2   0.240753D+01  0.126766D+01  0.609747D+01  0.448211D+01 -0.510922D+01
      3  -0.669824D+01 -0.316511D+01  0.744464D+01  0.588352D+01 -0.212492D+01
               211           212           213           214           215 
      1  -0.213818D+01 -0.293332D+01 -0.439094D+00  0.203572D+00  0.217044D+01
      2   0.424716D+01  0.700627D+01 -0.655642D+01 -0.316928D+01 -0.376756D+01
      3   0.698950D+01  0.863233D+01 -0.456625D+01 -0.154450D+01 -0.412992D+01
               216 
      1   0.440026D+00
      2   0.590869D+01
      3   0.347897D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.556461D+01 -0.601542D+01 -0.859526D+00 -0.293333D+01  0.512706D+01
      2  -0.234770D+01  0.923969D+01  0.322733D+00  0.538330D+01 -0.126256D+02
      3  -0.321691D+01 -0.322427D+01  0.536793D+00 -0.244996D+01  0.749857D+01
      4  -0.133068D+01 -0.508347D+01  0.184517D+00 -0.925760D+01  0.735898D+01
      5   0.113693D+01 -0.152018D+01 -0.328687D+01 -0.355492D+01  0.889029D+00
      6   0.176383D+01  0.218332D+01  0.542855D+01  0.263934D+01 -0.604779D+01
                 6             7             8             9            10 
      1   0.304124D+01  0.122001D+01  0.385301D+01  0.491995D+01 -0.248106D+02
      2  -0.694969D+00  0.305849D+01 -0.106048D+02  0.385961D+01  0.133337D+02
      3  -0.234628D+01 -0.427850D+01  0.675181D+01 -0.877955D+01  0.114769D+02
      4   0.159907D+01 -0.205863D+01  0.583826D+01  0.463497D+01  0.350632D+01
      5   0.335069D+01 -0.270275D+01  0.284125D+01 -0.163470D+02 -0.522625D-01
      6  -0.767382D+01  0.423445D+01 -0.379727D+01  0.200051D+02 -0.442811D+00
                11            12            13            14            15 
      1  -0.146165D+01  0.262899D+01  0.177872D+01  0.754465D+01  0.535550D-01
      2   0.318233D+01  0.859718D+00 -0.888125D+00 -0.185755D+01 -0.779649D+00
      3  -0.172067D+01 -0.348871D+01 -0.890593D+00 -0.568710D+01  0.726094D+00
      4  -0.383019D+00 -0.532236D-01  0.771599D+01  0.612716D+00 -0.176175D+01
      5  -0.473288D+00 -0.272394D+00  0.888699D+00 -0.886694D+00 -0.495909D+01
      6   0.222399D+00  0.217312D+01 -0.112633D+01 -0.289149D+00  0.128755D+00
                16            17            18            19            20 
      1  -0.397295D+01  0.160204D+01  0.131302D+02 -0.247371D+01  0.495472D+01
      2   0.238808D+01 -0.432603D+01  0.146110D+01  0.615517D+00 -0.926243D+01
      3   0.158487D+01  0.272399D+01 -0.145913D+02  0.185820D+01  0.430771D+01
      4   0.233309D+01 -0.251393D+01 -0.268194D+01 -0.144514D+01 -0.675515D+01
      5   0.733774D+01 -0.291407D+01  0.221618D+02  0.122573D+01  0.276205D+01
      6   0.757162D+00  0.559064D+00  0.543888D+01 -0.874488D+00  0.350489D+01
                21            22            23            24            25 
      1  -0.195765D+01  0.148173D+01 -0.243180D+01 -0.297593D+01  0.160160D+01
      2   0.235016D+00 -0.606394D+01 -0.778514D+00  0.241083D+01  0.325193D+01
      3   0.172264D+01  0.458221D+01  0.321031D+01  0.565104D+00 -0.485353D+01
      4   0.684549D+00 -0.112006D+02 -0.583235D+01  0.103783D+01  0.362139D+01
      5  -0.394427D+01  0.141244D+01  0.288634D+01 -0.606146D+00 -0.148255D+01
      6  -0.590549D+01  0.226949D+01  0.418004D+01 -0.230729D+01 -0.314856D+01
                26            27            28            29            30 
      1  -0.549421D+00 -0.209703D+01 -0.127441D+02  0.714207D+01 -0.745359D+00
      2   0.446429D+01  0.571860D+01  0.597237D+01 -0.835314D+01  0.137681D+01
      3  -0.391487D+01 -0.362157D+01  0.677174D+01  0.121107D+01 -0.631456D+00
      4   0.568156D+01 -0.378280D+00 -0.114278D+01 -0.177023D+01 -0.513199D+00
      5   0.105328D+01 -0.984862D+01 -0.232504D+01 -0.110000D+01 -0.212086D+01
      6   0.198649D+01 -0.155436D+02 -0.132636D+00 -0.241760D+01 -0.751618D+00
                31            32            33            34            35 
      1   0.378717D+01  0.102975D+02 -0.359688D+01 -0.480780D+01 -0.579403D+00
      2  -0.278249D+01 -0.104300D+02 -0.375064D+01  0.244755D+01 -0.423630D+00
      3  -0.100468D+01  0.132511D+00  0.734752D+01  0.236025D+01  0.100303D+01
      4  -0.287827D+01 -0.781537D+01 -0.500903D+01  0.398346D+01 -0.191550D+01
      5   0.183883D+01 -0.699037D+01 -0.767223D+01  0.745742D-01 -0.238128D+01
      6  -0.423953D+01  0.350911D+01 -0.101224D+01 -0.148081D+01  0.126202D+01
                36            37            38            39            40 
      1   0.164194D+02  0.126817D+02 -0.212190D+01  0.135446D+01 -0.107608D+01
      2   0.126924D+02 -0.792830D+01  0.152286D+01 -0.166630D+01  0.177287D+01
      3  -0.291118D+02 -0.475335D+01  0.599041D+00  0.311834D+00 -0.696787D+00
      4  -0.298970D+01 -0.862790D+01  0.132472D+02  0.187625D+00  0.131158D+02
      5   0.182718D+02  0.242810D+01  0.464845D+00  0.159977D+02 -0.142900D+01
      6   0.272106D+00  0.156026D+01  0.722850D+00  0.473355D+01  0.129802D+01
                41            42            43            44            45 
      1  -0.122762D+02  0.322061D+01  0.322424D+01  0.210788D+01 -0.496499D+01
      2   0.178595D+02  0.181712D+01 -0.402177D+01 -0.303585D+01 -0.338887D+01
      3  -0.558329D+01 -0.503773D+01  0.797530D+00  0.927969D+00  0.835386D+01
      4  -0.381225D+00  0.779402D+00 -0.537442D+01 -0.742000D+00 -0.182096D+01
      5   0.165645D+01  0.258780D+01  0.489588D+01 -0.142880D+01  0.135449D+01
      6  -0.321506D+00  0.596591D+01 -0.134576D+01  0.477365D+01  0.634147D+00
                46            47            48            49            50 
      1  -0.116397D+02  0.541853D+01  0.201867D+01 -0.344053D+01 -0.307893D+01
      2   0.102438D+02 -0.612429D+01  0.174536D+01 -0.383630D+01 -0.339754D+01
      3   0.139585D+01  0.705755D+00 -0.376402D+01  0.727684D+01  0.647647D+01
      4   0.618093D+01 -0.124126D+02 -0.208934D+01 -0.147047D+02 -0.881328D+01
      5   0.509587D+00 -0.255601D+00 -0.152864D+02  0.192534D+01  0.120813D+01
      6  -0.114125D+01  0.128202D+01 -0.863747D+01 -0.469221D-01  0.470840D+01
                51            52            53            54            55 
      1  -0.409809D+01  0.422795D+01 -0.359265D+01  0.463259D+01 -0.138307D+02
      2  -0.147594D+01  0.300633D+01  0.641133D+01  0.155361D+02  0.598538D+01
      3   0.557403D+01 -0.723428D+01 -0.281868D+01 -0.201687D+02  0.784532D+01
      4   0.164787D+01  0.236614D+01  0.499602D+01 -0.122451D-01  0.212658D+02
      5   0.216501D+01 -0.578630D+01  0.917072D+00 -0.198208D+02  0.128505D+01
      6  -0.222227D+01 -0.330849D+01  0.225628D+01 -0.194131D+02  0.218939D+01
                56            57            58            59            60 
      1   0.251498D+01 -0.773757D+00  0.283033D+01 -0.239819D+02 -0.732394D+01
      2  -0.766303D+00  0.142381D+01 -0.581736D+01  0.401392D+02  0.489149D+01
      3  -0.174867D+01 -0.650057D+00  0.298703D+01 -0.161573D+02  0.243244D+01
      4   0.144524D+01  0.617523D+00  0.108604D+02 -0.195511D+02 -0.442164D+01
      5  -0.529166D+00  0.356147D+01  0.204089D+01 -0.319235D+01 -0.240498D+01
      6  -0.871741D-02  0.745728D+00 -0.248248D+01  0.119790D+02  0.125687D+02
                61            62            63            64            65 
      1  -0.115223D+01 -0.958662D+01 -0.833472D+01  0.130771D+01  0.757249D+00
      2  -0.980024D+00  0.130545D+02  0.274574D+01 -0.315029D+01 -0.159275D+01
      3   0.213225D+01 -0.346785D+01  0.558898D+01  0.184259D+01  0.835506D+00
      4   0.652423D+01 -0.888705D+01 -0.505730D+01 -0.139242D+01  0.364589D+01
      5   0.541571D+01 -0.477002D+01 -0.328264D+01  0.414120D+01 -0.126366D+01
      6  -0.350271D+01  0.145991D+02  0.749477D+01 -0.339266D+01  0.302399D+00
                66            67            68            69            70 
      1   0.199524D+01  0.950587D+00 -0.357620D+01  0.277405D+01  0.156036D+01
      2  -0.245879D+01 -0.160220D+01  0.286547D+01 -0.289946D+01 -0.276482D+01
      3   0.463549D+00  0.651613D+00  0.710727D+00  0.125415D+00  0.120446D+01
      4  -0.304517D+01  0.320924D+01 -0.262988D+01  0.248993D+01 -0.468580D+01
      5   0.804271D+01 -0.153847D+00  0.242090D+01 -0.128024D+01  0.641050D+01
      6  -0.204696D+01  0.105176D+01 -0.409381D+01  0.746368D+01 -0.336427D+01
                71            72            73            74            75 
      1   0.433069D+01 -0.117665D+02  0.456532D+02 -0.138400D+02  0.231722D+01
      2  -0.369711D+01 -0.112592D+02 -0.274630D+02  0.677391D+01 -0.157737D+01
      3  -0.633584D+00  0.230256D+02 -0.181903D+02  0.706609D+01 -0.739847D+00
      4   0.416458D+01 -0.357953D+01 -0.172004D+02  0.271797D+01  0.305953D+01
      5  -0.239975D+01  0.172524D+02  0.456202D+01  0.407028D+01  0.917762D+01
      6   0.677890D+01 -0.218731D+02  0.487978D+00  0.224069D+00 -0.162799D+01
                76            77            78            79            80 
      1  -0.292188D+02 -0.776085D+01  0.348738D+01  0.155927D+02  0.319842D+01
      2   0.160137D+02  0.721240D+01 -0.149202D+01 -0.844387D+01 -0.144230D+01
      3   0.132051D+02  0.548449D+00 -0.199536D+01 -0.714886D+01 -0.175612D+01
      4  -0.241812D+01 -0.204642D+02  0.542655D+01  0.303280D+01  0.767297D+01
      5   0.442841D+01  0.657685D+01 -0.585280D+01  0.933731D+01 -0.287687D+01
      6   0.168924D+01  0.175987D+01  0.373177D+01 -0.100654D+01  0.229926D+01
                81            82            83            84            85 
      1   0.197798D+01  0.341055D+00  0.216216D+00 -0.552156D+01  0.797318D+00
      2  -0.493446D+01 -0.310909D+01  0.854487D-01  0.707489D+00 -0.410908D+00
      3   0.295647D+01  0.276803D+01 -0.301665D+00  0.481407D+01 -0.386410D+00
      4  -0.267345D+01 -0.239081D+00  0.173259D+00 -0.238261D+00  0.230953D+00
      5   0.253741D+01 -0.216291D+01 -0.265305D+00  0.311026D+01 -0.159478D+00
      6   0.438143D+00 -0.741990D+00  0.472212D+00 -0.690740D+00 -0.145926D-01
                86            87            88            89            90 
      1  -0.474311D+01  0.165034D+01 -0.742238D+01  0.159182D+01 -0.167334D+02
      2   0.875289D+00 -0.910328D-01  0.343210D+01  0.460714D+00 -0.132615D+02
      3   0.386782D+01 -0.155930D+01  0.399028D+01 -0.205254D+01  0.299950D+02
      4   0.142543D+01 -0.217499D+01 -0.931602D+00 -0.398303D+01  0.162292D+01
      5  -0.240527D+01  0.218988D+01  0.382717D+01  0.210315D+01 -0.203828D+02
      6  -0.158065D+01  0.735607D+01 -0.192890D+00  0.421133D+01 -0.480314D+01
                91            92            93            94            95 
      1   0.211528D+01 -0.199610D+01  0.195131D+01 -0.164250D+01 -0.531990D+00
      2  -0.326351D+01  0.271773D+01 -0.133030D+01  0.214263D+01 -0.109591D+01
      3   0.114823D+01 -0.721622D+00 -0.621012D+00 -0.500132D+00  0.162790D+01
      4   0.307286D+00  0.305604D+01  0.131009D+01  0.348124D+01  0.597204D+00
      5   0.337721D+01 -0.442751D+00  0.540949D+01 -0.147176D+00  0.203513D+01
      6   0.202479D+01 -0.117255D-01  0.172871D+01  0.593808D+00  0.138261D+01
                96            97            98            99           100 
      1  -0.107722D+01  0.182425D+01 -0.316066D+01 -0.855628D+01  0.117918D+02
      2   0.189842D+01 -0.351669D+01  0.473194D+01 -0.122232D+02 -0.231866D+01
      3  -0.821194D+00  0.169243D+01 -0.157128D+01  0.207795D+02 -0.947312D+01
      4   0.234948D+01  0.251014D+01  0.326477D+01  0.769095D+00  0.187759D+02
      5   0.279683D+00  0.562532D+01 -0.363705D+00  0.125167D+02 -0.425582D+01
      6   0.425530D+01  0.208335D+01  0.309411D+01  0.142588D+02 -0.536126D+01
               101           102           103           104           105 
      1  -0.856825D+01 -0.224656D+00 -0.323509D+01  0.815661D+01  0.569203D+01
      2   0.196012D+02  0.258208D+01  0.112377D+02 -0.782032D+01 -0.793618D+01
      3  -0.110330D+02 -0.235743D+01 -0.800258D+01 -0.336292D+00  0.224414D+01
      4   0.213698D+02 -0.359803D+01  0.183676D+02  0.118663D+02 -0.368065D+01
      5  -0.122820D+01  0.888756D+01 -0.954761D+00 -0.675632D+01  0.132495D+01
      6  -0.306410D+01  0.672854D+01 -0.208803D+01 -0.101383D+02  0.669525D+01
               106           107           108           109           110 
      1  -0.238558D+01  0.104858D+02 -0.151570D+01  0.930763D+01 -0.131167D+02
      2   0.685603D+00 -0.164436D+02 -0.223053D+01 -0.698868D+01  0.101135D+02
      3   0.169998D+01  0.595780D+01  0.374623D+01 -0.231895D+01  0.300321D+01
      4  -0.786598D+01 -0.100495D+02  0.563777D+01 -0.112429D+02 -0.132893D+02
      5   0.787414D+01  0.324511D+01 -0.349197D+01  0.753693D+01 -0.231803D+00
      6   0.715795D+01  0.884140D+01 -0.719910D+01 -0.169883D+01  0.539245D+01
               111           112           113           114           115 
      1   0.695932D+01 -0.139968D+02 -0.182005D+02  0.261556D+01  0.843428D+01
      2  -0.140653D+01  0.101743D+02  0.667657D+01 -0.597339D+01 -0.317193D+01
      3  -0.555279D+01  0.382244D+01  0.115239D+02  0.335783D+01 -0.526234D+01
      4  -0.208565D+01 -0.233210D+02  0.758470D+01  0.217179D+02 -0.210345D+01
      5  -0.769729D+01 -0.124995D+01  0.247002D+02  0.148361D+02 -0.269791D+02
      6   0.290573D+01  0.927219D+01 -0.903310D+01 -0.962896D+01  0.897849D+01
               116           117           118           119           120 
      1   0.335385D+01 -0.116868D+02  0.123661D+01 -0.198491D+00 -0.442955D+01
      2  -0.250282D+01  0.425751D+01 -0.437690D+01  0.171643D+00  0.102726D+01
      3  -0.851026D+00  0.742928D+01  0.314030D+01  0.268476D-01  0.340229D+01
      4   0.166098D+02  0.171516D+02 -0.211280D+00  0.143298D+01  0.968968D+00
      5   0.168927D+02 -0.168796D+01 -0.350052D+01  0.857596D-01  0.635051D+01
      6  -0.164119D+02 -0.503457D+01  0.497129D+00  0.618771D+00 -0.342965D+00
               121           122           123           124           125 
      1   0.517952D-01 -0.516497D+01  0.618729D+00 -0.437499D+01  0.111800D+01
      2  -0.417673D+00  0.925863D+00  0.175298D+01  0.506620D+01  0.808699D+00
      3   0.365878D+00  0.423910D+01 -0.237171D+01 -0.691216D+00 -0.192670D+01
      4   0.137462D+01  0.161284D+01 -0.193429D+01  0.113512D+01 -0.261774D+01
      5  -0.670418D+00 -0.257171D+01  0.200502D+01  0.737588D+01  0.118062D+01
      6   0.128146D+00 -0.318690D+00  0.757716D+01  0.633259D+00  0.525783D+01
               126           127           128           129           130 
      1  -0.213910D+02  0.108795D+02 -0.697751D+01 -0.249398D+01 -0.206494D+00
      2  -0.188350D+02  0.327645D+00  0.181143D+02  0.372930D+01  0.915561D+01
      3   0.402259D+02 -0.112071D+02 -0.111368D+02 -0.123532D+01 -0.894911D+01
      4   0.148855D+01  0.163945D+02  0.218460D+02 -0.293116D+01  0.191148D+02
      5  -0.203287D+02 -0.248554D+01  0.621323D+00  0.762166D+01 -0.157979D+00
      6   0.232008D+01 -0.339476D+01  0.131994D+01  0.626057D+01  0.639211D+00
               131           132           133           134           135 
      1   0.116244D+02  0.100408D+02 -0.505015D+01  0.164905D+02  0.436539D+00
      2  -0.107988D+02 -0.132720D+02  0.945680D+00 -0.282159D+02 -0.561353D+01
      3  -0.825633D+00  0.323120D+01  0.410447D+01  0.117254D+02  0.517699D+01
      4   0.114944D+02 -0.461722D+01 -0.950170D+01 -0.150570D+02  0.354452D+01
      5  -0.639619D+01  0.668939D+00  0.675119D+01  0.507592D+00 -0.428161D+01
      6  -0.183181D+02  0.414698D+01  0.559056D+01  0.357452D+01 -0.962739D+01
               136           137           138           139           140 
      1   0.185257D+01 -0.293908D+00  0.215615D+01 -0.117165D+01 -0.212883D+01
      2  -0.491290D+01  0.362076D+00 -0.270984D+01  0.200659D+01 -0.485432D+00
      3   0.306033D+01 -0.681677D-01  0.553684D+00 -0.834934D+00  0.261426D+01
      4   0.129905D+01  0.329851D+01  0.329630D+01  0.325098D+01  0.408348D+00
      5   0.560810D+01  0.982934D+00  0.985114D+01 -0.603581D+00  0.265052D+01
      6   0.340918D+01  0.912165D+00  0.253310D+01  0.916647D+00  0.204906D+01
               141           142           143           144           145 
      1  -0.884208D+00  0.622998D+00 -0.268910D+01 -0.146753D+02  0.229070D+02
      2   0.383964D+01 -0.421070D+01  0.360349D+01 -0.185607D+02 -0.444339D+01
      3  -0.295544D+01  0.358770D+01 -0.914396D+00  0.332360D+02 -0.184636D+02
      4   0.213873D+01  0.551350D+01  0.531342D+01  0.211386D+01 -0.357425D+02
      5  -0.239444D+01  0.983131D+01  0.173915D+01  0.212957D+02 -0.607763D+01
      6   0.493185D+01  0.407291D+01  0.588389D+01  0.200422D+02  0.198244D+01
               146           147           148           149           150 
      1  -0.252073D+01 -0.225934D+00 -0.197116D+01  0.925471D+00  0.465448D+00
      2  -0.795474D+01  0.334794D+00 -0.312601D+01  0.457579D+01 -0.256002D+00
      3   0.104755D+02 -0.108859D+00  0.509716D+01 -0.550126D+01 -0.209446D+00
      4   0.201673D+02  0.339264D+01  0.109871D+02 -0.729074D+01 -0.681021D+00
      5   0.284273D+01  0.497033D+01  0.118808D+01 -0.462082D+00 -0.166665D+01
      6  -0.272761D+01 -0.563783D+01 -0.123059D+01  0.342835D+00  0.168445D+01
               151           152           153           154           155 
      1   0.948246D+00  0.373677D+00  0.276150D+00  0.310031D+02  0.139014D+02
      2  -0.103861D+00 -0.935214D+00 -0.755993D+00 -0.158105D+02 -0.692952D+01
      3  -0.844385D+00  0.561537D+00  0.479843D+00 -0.151926D+02 -0.697185D+01
      4  -0.640389D+00  0.446778D+00 -0.355042D+01  0.147746D+02  0.141295D+02
      5   0.472763D+01 -0.221714D+01 -0.116048D+01 -0.558721D+01 -0.319736D+01
      6  -0.315822D+01  0.348967D+01  0.181524D+01 -0.105890D+01 -0.734110D+00
               156           157           158           159           160 
      1  -0.478592D+01  0.261832D+02  0.127389D+02 -0.389407D+01 -0.838866D+01
      2   0.219845D+01 -0.134242D+02 -0.431010D+01  0.188935D+01  0.507404D+01
      3   0.258746D+01 -0.127589D+02 -0.842879D+01  0.200472D+01  0.331462D+01
      4  -0.270516D+01  0.181098D+02  0.192939D+02 -0.467829D+01 -0.469332D+01
      5   0.702603D+01 -0.526833D+01 -0.510701D+01  0.662279D+01  0.871345D+01
      6   0.857207D+00 -0.170698D+01 -0.142941D+01  0.150255D+01  0.168508D+01
               161           162           163           164           165 
      1  -0.422749D+01  0.488266D+01 -0.187819D+01  0.781991D+01  0.146859D+00
      2   0.242115D+01 -0.407718D+01  0.325859D+01 -0.114347D+02 -0.152984D+01
      3   0.180634D+01 -0.805479D+00 -0.138040D+01  0.361478D+01  0.138298D+01
      4  -0.601660D+01  0.352355D+01 -0.175520D+01  0.646571D+00  0.115856D+01
      5   0.404184D+01 -0.349638D+01  0.550744D+00 -0.997958D+00 -0.104442D+01
      6   0.260038D+01 -0.126291D+01  0.138404D+01  0.256481D+00 -0.175099D+01
               166           167           168           169           170 
      1   0.389565D+01 -0.266793D+02 -0.190474D+01  0.119451D+01 -0.658918D+01
      2  -0.276552D+01  0.466138D+02  0.554589D+01 -0.857718D+00  0.111023D+02
      3  -0.113013D+01 -0.199345D+02 -0.364115D+01 -0.336793D+00 -0.451314D+01
      4   0.640828D+01  0.127421D+02  0.112284D+01  0.225644D+01  0.378977D+01
      5  -0.112395D+01  0.317652D+01  0.287615D+01  0.956602D+00  0.230477D+01
      6  -0.556338D+00  0.986667D+00  0.679492D+01 -0.377582D+00  0.667045D+01
               171           172           173           174           175 
      1  -0.449330D+01  0.298791D+02  0.821927D+01  0.368589D+01  0.125106D+02
      2   0.458953D+01 -0.180783D+02 -0.729661D+01 -0.584520D+01 -0.986560D+01
      3  -0.962336D-01 -0.118008D+02 -0.922651D+00  0.215931D+01 -0.264500D+01
      4   0.131865D+01 -0.421142D+01  0.138093D+02 -0.588494D+01  0.124627D+02
      5   0.691991D+00  0.158304D+02 -0.336201D+01  0.189115D+02 -0.147664D+01
      6   0.175776D+01 -0.607336D+00  0.767434D+01 -0.651748D+01  0.550064D+01
               176           177           178           179           180 
      1   0.127757D+02 -0.423632D+01  0.723713D+01 -0.744571D+01  0.804134D+01
      2  -0.534447D+01  0.176612D+01 -0.740505D+01  0.229907D+01 -0.173413D+02
      3  -0.743123D+01  0.247020D+01  0.167919D+00  0.514663D+01  0.929993D+01
      4   0.213696D+01  0.298784D+01 -0.735914D+01  0.156583D+01 -0.881025D+01
      5   0.431119D+01  0.363752D+01  0.290816D+02 -0.830384D+01  0.253172D+02
      6   0.329089D+01  0.137744D+01 -0.911393D+01  0.100771D+02 -0.225353D+01
               181           182           183           184           185 
      1   0.319222D+02  0.151277D+02 -0.670589D+01  0.258748D+02  0.128601D+02
      2  -0.171323D+02 -0.809869D+01  0.404825D+01 -0.145780D+02 -0.486034D+01
      3  -0.147899D+02 -0.702898D+01  0.265765D+01 -0.112967D+02 -0.799978D+01
      4   0.140107D+02  0.131499D+02 -0.254160D+01  0.157461D+02  0.197942D+02
      5  -0.104026D+02 -0.439517D+01  0.942486D+01 -0.738529D+01 -0.987110D+01
      6  -0.120690D+01 -0.253756D+01  0.215415D+00 -0.293422D+01 -0.231543D+01
               186           187           188           189           190 
      1  -0.427024D+01 -0.773198D+01 -0.208834D+01  0.606121D+01  0.127614D+02
      2   0.362976D+01  0.552547D+01  0.234949D+01 -0.546087D+01 -0.455837D+01
      3   0.640486D+00  0.220651D+01 -0.261152D+00 -0.600344D+00 -0.820305D+01
      4  -0.808687D+01 -0.235809D+01 -0.616875D+01  0.441368D+01 -0.125909D+02
      5   0.848469D+01  0.121224D+02  0.589945D+01 -0.616971D+01 -0.122350D+02
      6   0.261870D+01  0.810904D+00  0.385027D+01 -0.187670D+01  0.553092D+01
               191           192           193           194           195 
      1  -0.724096D+01 -0.796288D+01 -0.117555D+02  0.375578D+01  0.180359D+00
      2   0.160717D+01  0.397738D+01  0.202953D+01  0.840277D+01  0.286205D+01
      3   0.563379D+01  0.398550D+01  0.972601D+01 -0.121586D+02 -0.304241D+01
      4   0.134032D+02  0.693019D+01  0.236214D+02 -0.313594D+02 -0.175921D+02
      5   0.647480D+01  0.102309D+02  0.122213D+02 -0.187768D+02 -0.206480D+02
      6  -0.406387D+01 -0.393489D+01 -0.815926D+01  0.153638D+02  0.142067D+02
               196           197           198           199           200 
      1  -0.936050D+01 -0.241095D-01  0.145291D+01 -0.102376D+01  0.942746D+01
      2   0.545687D+01  0.131613D+01 -0.292840D+01  0.300921D+01 -0.129147D+02
      3   0.390363D+01 -0.129202D+01  0.147549D+01 -0.198545D+01  0.348721D+01
      4   0.105737D+02 -0.149042D+02 -0.153338D+02  0.120280D+01  0.327309D+01
      5   0.162582D+02 -0.162174D+02 -0.223933D+02  0.888630D+00 -0.187255D+00
      6  -0.705321D+01  0.125616D+02  0.136445D+02  0.187100D+01 -0.342396D+01
               201           202           203           204           205 
      1   0.225687D+01  0.337633D+01 -0.318507D+02 -0.705851D+01  0.191232D+01
      2  -0.303125D+01 -0.101795D+01  0.557501D+02  0.115590D+02 -0.999565D+00
      3   0.774374D+00 -0.235838D+01 -0.238993D+02 -0.450048D+01 -0.912750D+00
      4   0.128746D+01  0.718732D+01  0.195218D+02  0.328227D+01  0.342377D+01
      5   0.178646D+00  0.971949D-01  0.587008D+01  0.432903D+01  0.150693D+01
      6  -0.259857D+01 -0.262362D+00  0.146594D+02  0.102084D+02 -0.584323D-02
               206           207           208           209           210 
      1  -0.142453D+02 -0.773292D+01 -0.122702D+02 -0.970447D+01  0.697992D+01
      2   0.220817D+02  0.944503D+01  0.786900D+01  0.651426D+01 -0.189517D+01
      3  -0.783636D+01 -0.171211D+01  0.440122D+01  0.319021D+01 -0.508475D+01
      4   0.814448D+01  0.341792D+01  0.497184D+00 -0.557315D+01  0.274412D+01
      5   0.527189D+01  0.261909D+01 -0.167294D+01  0.128132D+01 -0.629174D+01
      6   0.142496D+02  0.733805D+01 -0.264715D+01 -0.609906D+01  0.613279D+01
               211           212           213           214           215 
      1  -0.135918D+02 -0.137641D+02  0.738915D+01  0.616447D+01  0.618141D+01
      2   0.812342D+01  0.126344D+02 -0.505957D+01 -0.274446D+01 -0.356842D+01
      3   0.546840D+01  0.112971D+01 -0.232958D+01 -0.342001D+01 -0.261298D+01
      4   0.143600D+01 -0.112298D+02  0.638135D+01  0.298746D+00  0.536717D+01
      5  -0.170589D+01  0.503456D+01 -0.787369D+01  0.172730D+01 -0.304249D+01
      6  -0.282770D+01 -0.101893D+02  0.843817D+01  0.213717D+01  0.687720D+01
               216 
      1  -0.748858D+01
      2   0.135950D+01
      3   0.612907D+01
      4  -0.274918D+01
      5   0.699632D+01
      6  -0.643627D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Sep 27 16:03:12 2021, MaxMem=  5637144576 cpu:           39843.8 elap:            4981.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.95982 -18.95552 -18.94691 -18.93880 -18.93138
 Alpha  occ. eigenvalues --  -18.92259 -10.15834 -10.10666 -10.10590 -10.10316
 Alpha  occ. eigenvalues --  -10.09793 -10.08671  -1.18707  -1.14250  -1.13416
 Alpha  occ. eigenvalues --   -1.11922  -1.10808  -1.10349  -0.89814  -0.88397
 Alpha  occ. eigenvalues --   -0.80122  -0.75913  -0.73216  -0.70314  -0.68100
 Alpha  occ. eigenvalues --   -0.64646  -0.63485  -0.62434  -0.59832  -0.59595
 Alpha  occ. eigenvalues --   -0.57780  -0.56717  -0.54199  -0.52714  -0.51509
 Alpha  occ. eigenvalues --   -0.50877  -0.48725  -0.48196  -0.46272  -0.44975
 Alpha  occ. eigenvalues --   -0.43754  -0.42780  -0.41944  -0.40287  -0.38700
 Alpha  occ. eigenvalues --   -0.37620  -0.36928  -0.36421
 Alpha virt. eigenvalues --    0.02266   0.03395   0.03736   0.04287   0.05229
 Alpha virt. eigenvalues --    0.05807   0.06094   0.06472   0.06774   0.07842
 Alpha virt. eigenvalues --    0.08782   0.08973   0.10524   0.11101   0.11915
 Alpha virt. eigenvalues --    0.12326   0.12586   0.13278   0.13779   0.14074
 Alpha virt. eigenvalues --    0.14205   0.15215   0.15382   0.15778   0.16371
 Alpha virt. eigenvalues --    0.16815   0.17149   0.17430   0.17861   0.18522
 Alpha virt. eigenvalues --    0.18895   0.19824   0.20075   0.20172   0.21035
 Alpha virt. eigenvalues --    0.21462   0.21702   0.22278   0.23039   0.23902
 Alpha virt. eigenvalues --    0.24100   0.25010   0.26025   0.26216   0.26593
 Alpha virt. eigenvalues --    0.27262   0.27847   0.28068   0.28311   0.28698
 Alpha virt. eigenvalues --    0.28940   0.29868   0.30115   0.30507   0.30630
 Alpha virt. eigenvalues --    0.31306   0.31898   0.32501   0.32696   0.32887
 Alpha virt. eigenvalues --    0.34050   0.34140   0.34287   0.35073   0.35819
 Alpha virt. eigenvalues --    0.36280   0.36360   0.36823   0.37303   0.38084
 Alpha virt. eigenvalues --    0.38599   0.39200   0.39763   0.40022   0.41016
 Alpha virt. eigenvalues --    0.41787   0.42191   0.42996   0.43239   0.44067
 Alpha virt. eigenvalues --    0.44089   0.44766   0.45046   0.46510   0.46917
 Alpha virt. eigenvalues --    0.47645   0.48079   0.48395   0.48886   0.49421
 Alpha virt. eigenvalues --    0.49858   0.50818   0.51485   0.51919   0.52892
 Alpha virt. eigenvalues --    0.53642   0.55549   0.56168   0.57332   0.57829
 Alpha virt. eigenvalues --    0.58589   0.59005   0.59287   0.60133   0.60640
 Alpha virt. eigenvalues --    0.61181   0.61797   0.61961   0.62849   0.63451
 Alpha virt. eigenvalues --    0.64366   0.65141   0.66214   0.66349   0.66700
 Alpha virt. eigenvalues --    0.68009   0.69020   0.69738   0.70184   0.70223
 Alpha virt. eigenvalues --    0.70858   0.71467   0.72214   0.72935   0.73564
 Alpha virt. eigenvalues --    0.74764   0.75117   0.75590   0.77306   0.77934
 Alpha virt. eigenvalues --    0.78046   0.78811   0.79268   0.80037   0.80920
 Alpha virt. eigenvalues --    0.81314   0.82956   0.84386   0.84849   0.85779
 Alpha virt. eigenvalues --    0.85952   0.86971   0.87831   0.88125   0.89328
 Alpha virt. eigenvalues --    0.90351   0.92128   0.92197   0.93162   0.94582
 Alpha virt. eigenvalues --    0.94926   0.95595   0.96110   0.98401   0.99721
 Alpha virt. eigenvalues --    1.00761   1.01267   1.02867   1.03816   1.04804
 Alpha virt. eigenvalues --    1.06992   1.07629   1.07953   1.09220   1.10032
 Alpha virt. eigenvalues --    1.12163   1.12655   1.13995   1.14686   1.15428
 Alpha virt. eigenvalues --    1.15536   1.16671   1.18102   1.18940   1.20954
 Alpha virt. eigenvalues --    1.21514   1.21757   1.22689   1.23966   1.25754
 Alpha virt. eigenvalues --    1.26787   1.28039   1.30469   1.32021   1.32646
 Alpha virt. eigenvalues --    1.33679   1.34043   1.36022   1.37396   1.38521
 Alpha virt. eigenvalues --    1.39253   1.42643   1.43329   1.44933   1.46154
 Alpha virt. eigenvalues --    1.47818   1.48752   1.49398   1.51230   1.52639
 Alpha virt. eigenvalues --    1.53870   1.55468   1.56080   1.57573   1.58603
 Alpha virt. eigenvalues --    1.59929   1.62496   1.64196   1.64800   1.65874
 Alpha virt. eigenvalues --    1.66099   1.68560   1.69905   1.70567   1.72008
 Alpha virt. eigenvalues --    1.72451   1.76140   1.76794   1.78217   1.79856
 Alpha virt. eigenvalues --    1.80940   1.81996   1.83459   1.84757   1.86317
 Alpha virt. eigenvalues --    1.87064   1.89531   1.89902   1.90153   1.91793
 Alpha virt. eigenvalues --    1.92169   1.95548   1.97092   1.97468   1.97930
 Alpha virt. eigenvalues --    1.99453   2.00009   2.01784   2.02499   2.05330
 Alpha virt. eigenvalues --    2.05965   2.06935   2.08323   2.09332   2.10839
 Alpha virt. eigenvalues --    2.13061   2.13192   2.14447   2.15584   2.16912
 Alpha virt. eigenvalues --    2.18653   2.19647   2.19962   2.23408   2.24468
 Alpha virt. eigenvalues --    2.25211   2.26748   2.28210   2.30463   2.30818
 Alpha virt. eigenvalues --    2.32011   2.33952   2.35594   2.36909   2.37598
 Alpha virt. eigenvalues --    2.39837   2.40782   2.43318   2.46193   2.46580
 Alpha virt. eigenvalues --    2.48654   2.51146   2.51755   2.52835   2.55471
 Alpha virt. eigenvalues --    2.56591   2.58186   2.62028   2.62826   2.63307
 Alpha virt. eigenvalues --    2.65329   2.66533   2.67886   2.73469   2.75168
 Alpha virt. eigenvalues --    2.77407   2.78463   2.79817   2.80781   2.84328
 Alpha virt. eigenvalues --    2.85940   2.87711   2.90354   2.92724   2.93341
 Alpha virt. eigenvalues --    3.06154   3.06457   3.13111   3.17895   3.21132
 Alpha virt. eigenvalues --    3.30184   3.37075   3.40309   3.44420   3.46805
 Alpha virt. eigenvalues --    3.47698   3.48562   3.49771   3.50170   3.51019
 Alpha virt. eigenvalues --    3.51393   3.53260   3.54633   3.55834   3.56580
 Alpha virt. eigenvalues --    3.57158   3.58354   3.58763   3.59732   3.61642
 Alpha virt. eigenvalues --    3.63440   3.65756   3.68168   3.71428   3.75074
 Alpha virt. eigenvalues --    3.79579   3.82197   3.90241   3.91772   4.01014
 Alpha virt. eigenvalues --    4.05781   4.08116   4.10479   4.13006   4.18889
 Alpha virt. eigenvalues --    4.41382
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    9.080921  -1.132661  -1.549448   0.164194  -0.004974   0.068256
     2  C   -1.132661   8.644573  -0.849267   0.563859   0.252945  -1.693903
     3  C   -1.549448  -0.849267   9.680886  -2.900888   0.208617   0.688292
     4  C    0.164194   0.563859  -2.900888  11.072087  -0.831652  -1.535149
     5  O   -0.004974   0.252945   0.208617  -0.831652   9.068784   0.019603
     6  C    0.068256  -1.693903   0.688292  -1.535149   0.019603   7.818934
     7  O   -0.502488   0.227918   0.093926   0.127589  -0.003822  -0.061402
     8  H   -0.759965   0.369606  -0.187528   0.008210   0.005964  -0.184802
     9  O    0.132232  -0.544802   0.120237  -0.049811  -0.020161   0.228558
    10  H   -0.250605  -0.672151   0.170927  -0.111184  -0.040029   0.319792
    11  H    0.123878  -0.038684  -0.663211  -0.095730   0.036418  -0.006881
    12  O    0.205512  -0.015473  -0.433375   0.095081  -0.004972   0.009325
    13  C   -0.424919   0.184977   0.157055  -0.609580   0.059702  -0.114392
    14  H   -0.138835   0.113250   0.669297  -1.314543   0.034796   0.023510
    15  O    0.082296   0.048820  -0.075410   0.155222  -0.092045  -0.107076
    16  H   -0.028333  -0.111700   0.088852   0.204116  -0.000504  -0.527869
    17  H    0.103648  -0.128139   0.016003  -0.016163  -0.002262   0.028594
    18  H   -0.023933   0.182887  -0.022609   0.018555   0.007278  -0.146958
    19  H   -0.083495   0.003581   0.081584  -0.010630  -0.001538  -0.004289
    20  O    0.001120   0.000762  -0.090879   0.178471  -0.061596  -0.006432
    21  H    0.085970  -0.005491   0.027591  -0.278126   0.148681   0.050700
    22  H   -0.012207   0.001652  -0.058876   0.507471  -0.109536  -0.031155
    23  H   -0.001345  -0.052139   0.022637  -0.061602  -0.011299   0.111154
    24  H   -0.001156   0.000517   0.030384  -0.061539   0.053338  -0.009510
               7          8          9         10         11         12
     1  C   -0.502488  -0.759965   0.132232  -0.250605   0.123878   0.205512
     2  C    0.227918   0.369606  -0.544802  -0.672151  -0.038684  -0.015473
     3  C    0.093926  -0.187528   0.120237   0.170927  -0.663211  -0.433375
     4  C    0.127589   0.008210  -0.049811  -0.111184  -0.095730   0.095081
     5  O   -0.003822   0.005964  -0.020161  -0.040029   0.036418  -0.004972
     6  C   -0.061402  -0.184802   0.228558   0.319792  -0.006881   0.009325
     7  O    8.544842  -0.093722  -0.014387   0.010669  -0.038567  -0.020472
     8  H   -0.093722   2.097043  -0.050296   0.078017   0.104029   0.017389
     9  O   -0.014387  -0.050296   8.525870  -0.063912  -0.005798  -0.003280
    10  H    0.010669   0.078017  -0.063912   1.893867   0.034781   0.001888
    11  H   -0.038567   0.104029  -0.005798   0.034781   2.082813  -0.072401
    12  O   -0.020472   0.017389  -0.003280   0.001888  -0.072401   8.495058
    13  C   -0.002113   0.075675  -0.006287   0.033800  -0.056102   0.005611
    14  H   -0.004734  -0.001637  -0.012929  -0.006762   0.092404  -0.052525
    15  O   -0.001402  -0.001721  -0.004874  -0.022166  -0.006132   0.000594
    16  H    0.000554   0.008237   0.021030   0.090786   0.000299  -0.008655
    17  H    0.284824  -0.074471   0.020174  -0.010519   0.003895   0.004928
    18  H    0.005311   0.007519   0.271218  -0.075264  -0.002654   0.000011
    19  H    0.019681  -0.008433   0.000298   0.001535  -0.056197   0.298923
    20  O    0.000559  -0.003072   0.000068  -0.005043   0.006432   0.015537
    21  H   -0.001064   0.011085  -0.000103   0.003454  -0.029264  -0.005831
    22  H    0.000565   0.002522  -0.000040  -0.001413   0.015210   0.007009
    23  H   -0.000344  -0.003623   0.006708   0.002361   0.001371   0.000243
    24  H   -0.000342   0.000599  -0.000092   0.000980  -0.010370  -0.002533
              13         14         15         16         17         18
     1  C   -0.424919  -0.138835   0.082296  -0.028333   0.103648  -0.023933
     2  C    0.184977   0.113250   0.048820  -0.111700  -0.128139   0.182887
     3  C    0.157055   0.669297  -0.075410   0.088852   0.016003  -0.022609
     4  C   -0.609580  -1.314543   0.155222   0.204116  -0.016163   0.018555
     5  O    0.059702   0.034796  -0.092045  -0.000504  -0.002262   0.007278
     6  C   -0.114392   0.023510  -0.107076  -0.527869   0.028594  -0.146958
     7  O   -0.002113  -0.004734  -0.001402   0.000554   0.284824   0.005311
     8  H    0.075675  -0.001637  -0.001721   0.008237  -0.074471   0.007519
     9  O   -0.006287  -0.012929  -0.004874   0.021030   0.020174   0.271218
    10  H    0.033800  -0.006762  -0.022166   0.090786  -0.010519  -0.075264
    11  H   -0.056102   0.092404  -0.006132   0.000299   0.003895  -0.002654
    12  O    0.005611  -0.052525   0.000594  -0.008655   0.004928   0.000011
    13  C    5.520643  -0.019871  -0.026571   0.037202  -0.004479   0.001086
    14  H   -0.019871   2.358799  -0.006548  -0.008956  -0.001812   0.002268
    15  O   -0.026571  -0.006548   8.386452  -0.132751  -0.000282   0.012353
    16  H    0.037202  -0.008956  -0.132751   1.864565  -0.000549  -0.017672
    17  H   -0.004479  -0.001812  -0.000282  -0.000549   0.628252  -0.002350
    18  H    0.001086   0.002268   0.012353  -0.017672  -0.002350   0.639649
    19  H    0.002329   0.002195  -0.000162  -0.000504  -0.002218  -0.000171
    20  O    0.064413  -0.009654  -0.000922  -0.002533   0.000429   0.000096
    21  H    0.042222  -0.064629   0.000082   0.005176  -0.000328   0.000009
    22  H   -0.044414  -0.107018  -0.003649  -0.001132   0.000089   0.000017
    23  H   -0.002235  -0.003552   0.303076  -0.079802   0.000192  -0.002879
    24  H   -0.038712   0.008204   0.003648   0.001986  -0.000137   0.000040
              19         20         21         22         23         24
     1  C   -0.083495   0.001120   0.085970  -0.012207  -0.001345  -0.001156
     2  C    0.003581   0.000762  -0.005491   0.001652  -0.052139   0.000517
     3  C    0.081584  -0.090879   0.027591  -0.058876   0.022637   0.030384
     4  C   -0.010630   0.178471  -0.278126   0.507471  -0.061602  -0.061539
     5  O   -0.001538  -0.061596   0.148681  -0.109536  -0.011299   0.053338
     6  C   -0.004289  -0.006432   0.050700  -0.031155   0.111154  -0.009510
     7  O    0.019681   0.000559  -0.001064   0.000565  -0.000344  -0.000342
     8  H   -0.008433  -0.003072   0.011085   0.002522  -0.003623   0.000599
     9  O    0.000298   0.000068  -0.000103  -0.000040   0.006708  -0.000092
    10  H    0.001535  -0.005043   0.003454  -0.001413   0.002361   0.000980
    11  H   -0.056197   0.006432  -0.029264   0.015210   0.001371  -0.010370
    12  O    0.298923   0.015537  -0.005831   0.007009   0.000243  -0.002533
    13  C    0.002329   0.064413   0.042222  -0.044414  -0.002235  -0.038712
    14  H    0.002195  -0.009654  -0.064629  -0.107018  -0.003552   0.008204
    15  O   -0.000162  -0.000922   0.000082  -0.003649   0.303076   0.003648
    16  H   -0.000504  -0.002533   0.005176  -0.001132  -0.079802   0.001986
    17  H   -0.002218   0.000429  -0.000328   0.000089   0.000192  -0.000137
    18  H   -0.000171   0.000096   0.000009   0.000017  -0.002879   0.000040
    19  H    0.616742  -0.000834  -0.002033   0.000014   0.000118  -0.000267
    20  O   -0.000834   8.233990  -0.148103  -0.022885   0.000847   0.287928
    21  H   -0.002033  -0.148103   1.825173  -0.390282   0.000074   0.032465
    22  H    0.000014  -0.022885  -0.390282   1.555039   0.000741  -0.060421
    23  H    0.000118   0.000847   0.000074   0.000741   0.614494  -0.001371
    24  H   -0.000267   0.287928   0.032465  -0.060421  -0.001371   0.618256
 Mulliken charges:
               1
     1  C    0.866338
     2  C    0.649062
     3  C    0.775204
     4  C    0.781737
     5  O   -0.711736
     6  C    1.063099
     7  O   -0.571580
     8  H   -0.416627
     9  O   -0.549622
    10  H   -0.383809
    11  H   -0.419539
    12  O   -0.537592
    13  C    1.164961
    14  H   -0.550719
    15  O   -0.510833
    16  H   -0.401845
    17  H    0.152680
    18  H    0.146193
    19  H    0.143774
    20  O   -0.438699
    21  H   -0.307428
    22  H   -0.247300
    23  H    0.156176
    24  H    0.148107
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.449711
     2  C    0.265253
     3  C    0.355664
     4  C    0.231018
     5  O   -0.711736
     6  C    0.661254
     7  O   -0.418900
     9  O   -0.403430
    12  O   -0.393818
    13  C    0.610232
    15  O   -0.354657
    20  O   -0.290592
 Electronic spatial extent (au):  <R**2>=           2113.1401
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -2.3592    Y=             -1.9429    Z=             -1.6625  Tot=              3.4792
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -76.7788   YY=            -66.4105   ZZ=            -72.4259
   XY=              0.5084   XZ=             -3.6518   YZ=              3.2275
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -4.9070   YY=              5.4613   ZZ=             -0.5542
   XY=              0.5084   XZ=             -3.6518   YZ=              3.2275
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -40.4712  YYY=            -16.9893  ZZZ=              2.6511  XYY=            -10.5166
  XXY=             -3.0934  XXZ=             -6.3334  XZZ=             -6.2991  YZZ=             -8.0920
  YYZ=             -6.0972  XYZ=              0.5551
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1452.8770 YYYY=           -786.8576 ZZZZ=           -212.5836 XXXY=             23.0421
 XXXZ=            -82.7416 YYYX=             20.6128 YYYZ=             23.9236 ZZZX=              3.6102
 ZZZY=             -3.7455 XXYY=           -370.1141 XXZZ=           -292.6407 YYZZ=           -196.1877
 XXYZ=             15.9248 YYXZ=             25.7903 ZZXY=             -2.6265
 N-N= 8.322526422312D+02 E-N=-3.275132943693D+03  KE= 6.819746758180D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Sep 27 16:03:13 2021, MaxMem=  5637144576 cpu:               3.7 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-9.50149552D-01-7.53181633D-01-6.16387396D-01
 Polarizability= 1.02930924D+02 1.59990274D+00 9.62713087D+01
                -2.38552572D+00 4.73169925D-01 7.96383503D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.8382    0.8384        0.5418    0.5412
 2     -0.8382   -0.8384       -0.0678   -0.0682       -3.6769   -3.6776
 3     -0.5418   -0.5412       12.0465   12.0460        0.0691    0.0682
 4      0.0678    0.0682       -0.0000    0.0000       -0.5411   -0.5412
 5     -8.3696   -8.3683        0.5411    0.5412        0.8384    0.8384
 6     -0.0691   -0.0682       -0.8384   -0.8384        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -2.5152   -2.5152        1.6237    1.6237
 2      0.2045    0.2045       -0.0000    0.0000        1.6237    1.6237
 3      0.2045    0.2045       -2.5152   -2.5152       -0.0000    0.0000
 4     -2.5152   -2.5152       -0.2045   -0.2045      -11.0329  -11.0329
 5     -1.6237   -1.6237       36.1379   36.1379        0.2045    0.2045
 6    -25.1050  -25.1050        1.6237    1.6237        2.5152    2.5152
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0005    0.0000       -3.3563   -3.3537       -2.1764   -2.1650
 2      3.3657    3.3537        0.2575    0.2727       14.7091   14.7105
 3      2.1709    2.1650      -48.1964  -48.1838       -0.2878   -0.2727
 4     -0.2730   -0.2727        0.0116    0.0000        2.1852    2.1650
 5     33.4836   33.4734       -2.1608   -2.1650       -3.3563   -3.3537
 6      0.2784    0.2727        3.3784    3.3537       -0.0084    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0128    0.0000        1.0628    1.0274       -3.8114   -3.8506
 2     -1.0332   -1.0274        7.0196    7.0263       10.4334   10.4453
 3      3.8746    3.8506       -0.3162   -0.3435       -7.0143   -7.0263
 4     -7.0323   -7.0263        0.0167    0.0000        3.7945    3.8506
 5    -10.1096  -10.1018       -3.8844   -3.8506        1.0601    1.0274
 6      7.0396    7.0263       -1.0619   -1.0274        0.0076    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -24.6827  -24.6924       10.6798   10.7077        2.2892    2.2417
 2    -38.3287  -38.3133       16.9897   16.9709        2.2555    2.2417
 3    -38.3167  -38.3133       10.7096   10.7077        4.5036    4.4982
 4     -6.2683   -6.2632       13.5680   13.6209        7.4037    7.4489
 5      2.3065    2.2566        1.7585    1.7406      -13.5613  -13.6209
 6     -9.2083   -9.1895       -2.3109   -2.2566        6.2828    6.2632
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.2536    0.0009    0.0011    0.0011    1.5940    6.0913
 Low frequencies ---   71.0075   91.9562  118.6735
 Diagonal vibrational polarizability:
       79.5016150      49.8743605      62.4433998
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     71.0072                91.9561               118.6734
 Red. masses --      6.1497                 5.4982                 6.6892
 Frc consts  --      0.0183                 0.0274                 0.0555
 IR Inten    --      1.0587                 2.4853                 2.4488
 RamAct Fr= 1--      0.0505                 0.2160                 0.0422
  Dep-P Fr= 1--      0.6443                 0.7462                 0.7481
  Dep-U Fr= 1--      0.7837                 0.8547                 0.8559
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0066                 0.0308                 0.0060
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0023                 0.0680                 0.0434
 Delta2 Fr= 1--     -0.0044                -0.0270                 0.0228
 Raman1 Fr= 1--       0.202                  0.864                  0.169
 ROA1   Fr= 1--      -0.357                  5.663                  4.901
 CID1   Fr= 1--      -1.766                  6.553                 29.009
 Raman2 Fr= 1--       0.079                  0.369                  0.072
 ROA2   Fr= 1--      -0.019                  1.847                  0.860
 CID2   Fr= 1--      -0.238                  5.003                 11.895
 Raman3 Fr= 1--       0.158                  0.739                  0.145
 ROA3   Fr= 1--      -0.357                  5.663                  4.901
 CID3   Fr= 1--      -2.253                  7.668                 33.893
 RC180  Fr= 1--       0.567                  0.709                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.01     0.01  -0.01   0.07    -0.01   0.04   0.09
     2   6     0.07  -0.02   0.07    -0.04  -0.02  -0.02    -0.04   0.01  -0.05
     3   6     0.02   0.03  -0.11     0.02  -0.05  -0.02     0.01   0.08  -0.06
     4   6     0.05   0.00  -0.04    -0.03  -0.09   0.03     0.01   0.04   0.01
     5   8     0.01  -0.00  -0.11    -0.05  -0.04   0.11     0.04   0.06   0.09
     6   6     0.01   0.04  -0.08    -0.02  -0.00  -0.02     0.05  -0.01   0.05
     7   8     0.05  -0.01   0.05     0.09  -0.06   0.21     0.04  -0.06   0.30
     8   1    -0.10  -0.01   0.03    -0.04   0.10   0.10    -0.08   0.20   0.12
     9   8     0.03  -0.02   0.28    -0.02   0.04  -0.10     0.01  -0.00  -0.29
    10   1     0.23  -0.08   0.04    -0.11  -0.06  -0.01    -0.21   0.01  -0.03
    11   1     0.10   0.14  -0.12     0.08   0.00  -0.03     0.14   0.19  -0.08
    12   8    -0.04  -0.00  -0.27     0.01  -0.10  -0.12    -0.10   0.05  -0.27
    13   6     0.01  -0.00   0.17    -0.01  -0.05  -0.02     0.01   0.03   0.03
    14   1     0.18  -0.01  -0.05    -0.07  -0.16   0.03    -0.00  -0.02   0.01
    15   8     0.01  -0.01  -0.19    -0.12  -0.01  -0.15     0.09   0.00   0.12
    16   1    -0.01   0.16  -0.07     0.10   0.06  -0.03     0.07  -0.09   0.04
    17   1     0.03  -0.05   0.17     0.10   0.04   0.19     0.05   0.06   0.23
    18   1     0.10  -0.08   0.25    -0.06   0.03  -0.18    -0.05   0.04  -0.28
    19   1     0.03   0.02  -0.24     0.12  -0.07  -0.06     0.01   0.07  -0.20
    20   8    -0.21   0.01   0.20     0.14   0.34   0.02    -0.09  -0.22  -0.00
    21   1     0.05  -0.01   0.25    -0.02  -0.14  -0.32     0.01   0.09   0.21
    22   1     0.09  -0.01   0.23    -0.10  -0.22   0.19     0.06   0.14  -0.11
    23   1    -0.02   0.04  -0.28    -0.08   0.01  -0.15     0.14  -0.02   0.19
    24   1    -0.27   0.02   0.11     0.28   0.32   0.28    -0.21  -0.17  -0.15
                      4                      5                      6
                      A                      A                      A
 Frequencies --    140.5943               231.3316               241.7153
 Red. masses --      6.3874                 2.9487                 2.9404
 Frc consts  --      0.0744                 0.0930                 0.1012
 IR Inten    --      0.7573                19.8499                 5.8194
 RamAct Fr= 1--      0.0522                 0.2317                 0.3509
  Dep-P Fr= 1--      0.6140                 0.4820                 0.7334
  Dep-U Fr= 1--      0.7609                 0.6505                 0.8462
 Alpha2 Fr= 1--      0.0001                 0.0012                 0.0001
 Beta2  Fr= 1--      0.0066                 0.0251                 0.0495
 AlphaG Fr= 1--     -0.0000                -0.0036                 0.0009
 Gamma2 Fr= 1--      0.0017                 0.0022                -0.0338
 Delta2 Fr= 1--     -0.0136                 0.0404                -0.0547
 Raman1 Fr= 1--       0.209                  0.927                  1.404
 ROA1   Fr= 1--      -0.271                  1.504                 -4.996
 CID1   Fr= 1--      -1.298                  1.622                 -3.559
 Raman2 Fr= 1--       0.079                  0.301                  0.594
 ROA2   Fr= 1--       0.150                 -0.270                 -0.373
 CID2   Fr= 1--       1.894                 -0.897                 -0.629
 Raman3 Fr= 1--       0.159                  0.603                  1.188
 ROA3   Fr= 1--      -0.271                  1.504                 -4.996
 CID3   Fr= 1--      -1.706                  2.494                 -4.206
 RC180  Fr= 1--       0.522                  0.301                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.00   0.02    -0.02   0.01   0.01    -0.03   0.08  -0.04
     2   6    -0.02   0.00   0.07    -0.03   0.01   0.05     0.06   0.03  -0.06
     3   6    -0.01   0.07   0.05    -0.03  -0.04  -0.02    -0.02   0.02  -0.01
     4   6     0.00   0.00   0.17    -0.01  -0.02  -0.03    -0.02  -0.00   0.02
     5   8     0.00   0.05   0.28     0.02  -0.02   0.04     0.02  -0.05  -0.02
     6   6     0.04   0.05   0.03     0.03   0.03   0.04     0.02   0.01  -0.02
     7   8    -0.10   0.06  -0.13     0.22   0.12  -0.01    -0.12  -0.01   0.05
     8   1     0.01  -0.11  -0.00    -0.07   0.00   0.02    -0.02   0.13  -0.03
     9   8    -0.02  -0.02   0.08    -0.04  -0.20  -0.02     0.02  -0.14   0.02
    10   1    -0.01  -0.00   0.07    -0.04   0.05   0.05     0.12   0.05  -0.06
    11   1     0.01   0.22   0.05    -0.04  -0.09  -0.02    -0.06   0.04  -0.00
    12   8    -0.08   0.02  -0.13    -0.06   0.01   0.05     0.15  -0.10  -0.04
    13   6     0.04  -0.00   0.01    -0.00   0.05  -0.02     0.01   0.11   0.02
    14   1    -0.07  -0.08   0.17    -0.04  -0.06  -0.03    -0.01   0.00   0.02
    15   8    -0.08  -0.00  -0.26    -0.03   0.03  -0.02    -0.12   0.12   0.06
    16   1     0.27   0.20   0.01     0.04   0.08   0.05     0.03  -0.04  -0.03
    17   1    -0.10  -0.00  -0.16     0.27   0.54  -0.23    -0.14  -0.18   0.18
    18   1     0.01  -0.08  -0.05     0.15  -0.42  -0.29     0.20  -0.30  -0.11
    19   1    -0.13   0.05  -0.26    -0.21  -0.04  -0.01     0.44  -0.02   0.09
    20   8     0.23  -0.22  -0.06    -0.06   0.01  -0.02     0.02  -0.01  -0.01
    21   1    -0.01   0.05   0.05    -0.04   0.09   0.04    -0.10   0.22   0.12
    22   1    -0.00   0.10  -0.16     0.07   0.08  -0.04     0.13   0.22  -0.07
    23   1    -0.01   0.07  -0.34    -0.16   0.06  -0.13    -0.45   0.08  -0.05
    24   1     0.24  -0.22  -0.06    -0.08   0.01  -0.06     0.11  -0.13  -0.09
                      7                      8                      9
                      A                      A                      A
 Frequencies --    253.1725               267.2265               285.6060
 Red. masses --      3.9731                 2.4207                 1.8791
 Frc consts  --      0.1500                 0.1018                 0.0903
 IR Inten    --      2.6964                 4.1559                68.1916
 RamAct Fr= 1--      0.6776                 0.1930                 0.6676
  Dep-P Fr= 1--      0.2256                 0.3256                 0.4469
  Dep-U Fr= 1--      0.3682                 0.4912                 0.6177
 Alpha2 Fr= 1--      0.0086                 0.0018                 0.0041
 Beta2  Fr= 1--      0.0416                 0.0158                 0.0687
 AlphaG Fr= 1--     -0.0011                 0.0029                 0.0121
 Gamma2 Fr= 1--     -0.1173                 0.0164                -0.2123
 Delta2 Fr= 1--     -0.0034                 0.0458                -0.0112
 Raman1 Fr= 1--       2.710                  0.772                  2.671
 ROA1   Fr= 1--     -11.364                  3.041                -20.744
 CID1   Fr= 1--      -4.193                  3.939                 -7.767
 Raman2 Fr= 1--       0.499                  0.190                  0.825
 ROA2   Fr= 1--      -2.787                  0.028                 -5.007
 CID2   Fr= 1--      -5.587                  0.145                 -6.070
 Raman3 Fr= 1--       0.998                  0.379                  1.650
 ROA3   Fr= 1--     -11.364                  3.041                -20.744
 CID3   Fr= 1--     -11.389                  8.019                -12.575
 RC180  Fr= 1--      -0.264                 -0.018                  0.235
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04   0.02     0.02  -0.04   0.02    -0.06   0.04  -0.05
     2   6    -0.03   0.00  -0.00    -0.01  -0.02   0.03    -0.07   0.02  -0.05
     3   6    -0.03  -0.03   0.02    -0.02  -0.06   0.01    -0.05  -0.01  -0.04
     4   6     0.06  -0.01   0.03    -0.04  -0.03   0.00    -0.00  -0.00   0.01
     5   8    -0.02  -0.07  -0.22     0.01  -0.05   0.04    -0.03   0.03  -0.01
     6   6    -0.07   0.00  -0.05    -0.01  -0.05   0.03    -0.03   0.02  -0.04
     7   8     0.05  -0.00   0.00     0.06  -0.01  -0.02     0.04   0.04   0.03
     8   1     0.01  -0.04   0.02     0.01  -0.07   0.01    -0.08   0.10  -0.04
     9   8    -0.02   0.04  -0.02     0.02   0.13  -0.01    -0.11  -0.03   0.05
    10   1    -0.05  -0.04  -0.01    -0.05  -0.02   0.03    -0.01   0.03  -0.06
    11   1    -0.01   0.02   0.02    -0.00  -0.07   0.01    -0.11  -0.01  -0.02
    12   8    -0.17   0.03  -0.04     0.02  -0.09  -0.00     0.05  -0.07  -0.01
    13   6     0.08   0.04   0.11     0.01   0.23   0.00     0.01   0.02   0.04
    14   1     0.23   0.11   0.03    -0.08  -0.05   0.00     0.05  -0.02   0.00
    15   8    -0.07   0.06   0.09    -0.01  -0.07  -0.03     0.06  -0.01  -0.02
    16   1    -0.21  -0.02  -0.03     0.02  -0.02   0.03    -0.01  -0.01  -0.05
    17   1     0.07   0.11  -0.07     0.06   0.03  -0.04     0.05   0.14   0.05
    18   1    -0.05   0.05  -0.03    -0.13   0.29   0.15    -0.06  -0.02   0.15
    19   1    -0.37  -0.02  -0.15    -0.01  -0.07  -0.08     0.25  -0.04   0.13
    20   8     0.23  -0.04   0.09    -0.06   0.02  -0.02     0.07  -0.03   0.02
    21   1    -0.00   0.12   0.15    -0.22   0.47   0.22    -0.03   0.05   0.06
    22   1     0.16   0.12   0.04     0.33   0.44  -0.14     0.03   0.05   0.00
    23   1    -0.33   0.03   0.00     0.01  -0.04  -0.06     0.72  -0.09   0.44
    24   1     0.48  -0.27   0.07     0.06  -0.16  -0.21     0.14  -0.09   0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    300.0200               333.9123               367.6705
 Red. masses --      3.6516                 1.4431                 1.2650
 Frc consts  --      0.1937                 0.0948                 0.1008
 IR Inten    --     10.0981                32.2038                88.7901
 RamAct Fr= 1--      0.3856                 2.1264                 0.9420
  Dep-P Fr= 1--      0.6671                 0.3030                 0.6850
  Dep-U Fr= 1--      0.8003                 0.4651                 0.8131
 Alpha2 Fr= 1--      0.0006                 0.0216                 0.0011
 Beta2  Fr= 1--      0.0514                 0.1648                 0.1277
 AlphaG Fr= 1--     -0.0027                -0.0278                 0.0001
 Gamma2 Fr= 1--      0.1202                 0.2422                -0.0415
 Delta2 Fr= 1--      0.1203                 0.4850                -0.3532
 Raman1 Fr= 1--       1.542                  8.505                  3.768
 ROA1   Fr= 1--      15.389                 38.774                -15.285
 CID1   Fr= 1--       9.977                  4.559                 -4.056
 Raman2 Fr= 1--       0.617                  1.978                  1.532
 ROA2   Fr= 1--       1.923                  1.934                  1.831
 CID2   Fr= 1--       3.115                  0.978                  1.195
 Raman3 Fr= 1--       1.235                  3.956                  3.064
 ROA3   Fr= 1--      15.389                 38.774                -15.285
 CID3   Fr= 1--      12.466                  9.801                 -4.989
 RC180  Fr= 1--       0.601                 -0.070                  0.626
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.03  -0.17     0.03  -0.02   0.04    -0.00  -0.04   0.01
     2   6     0.03  -0.00  -0.15     0.05  -0.00   0.02    -0.02   0.00   0.06
     3   6    -0.02  -0.02  -0.14     0.02  -0.01   0.04     0.00  -0.03  -0.02
     4   6     0.04  -0.04  -0.05    -0.00  -0.01   0.00     0.02  -0.01  -0.03
     5   8     0.01   0.02   0.16     0.01  -0.05  -0.01     0.00   0.01  -0.00
     6   6     0.02  -0.04  -0.05     0.02   0.02  -0.01    -0.01   0.03   0.04
     7   8     0.09  -0.13   0.04    -0.03  -0.01  -0.01     0.02   0.00  -0.05
     8   1    -0.05   0.10  -0.14     0.05  -0.04   0.03    -0.02  -0.09   0.01
     9   8    -0.01   0.02   0.07     0.06   0.01   0.01    -0.01   0.04  -0.00
    10   1     0.17   0.03  -0.16     0.04  -0.04   0.01    -0.06   0.00   0.06
    11   1    -0.13  -0.11  -0.12     0.05  -0.01   0.03     0.04  -0.05  -0.03
    12   8    -0.08   0.14   0.09    -0.02  -0.01   0.00    -0.06   0.01  -0.02
    13   6     0.06   0.02   0.01    -0.00   0.01  -0.02     0.03   0.00   0.00
    14   1     0.03  -0.23  -0.06    -0.04   0.01   0.01     0.03  -0.04  -0.03
    15   8    -0.12   0.07   0.01    -0.08   0.08  -0.02    -0.00   0.01  -0.00
    16   1     0.18  -0.17  -0.08     0.04   0.04  -0.02    -0.02   0.07   0.04
    17   1     0.05  -0.26   0.40    -0.04  -0.07  -0.03    -0.04  -0.26   0.34
    18   1     0.00   0.11   0.33     0.10  -0.15  -0.35     0.03  -0.16  -0.47
    19   1    -0.28   0.02   0.16    -0.29  -0.01  -0.28     0.42  -0.02   0.58
    20   8     0.00  -0.02   0.00    -0.03   0.01  -0.01    -0.00  -0.00   0.00
    21   1     0.01   0.08   0.06    -0.02   0.03  -0.00     0.01   0.02   0.02
    22   1     0.15   0.07  -0.01     0.02   0.02  -0.02     0.07   0.02   0.00
    23   1    -0.10  -0.04   0.19     0.56  -0.07   0.54     0.07   0.02   0.02
    24   1    -0.08   0.04  -0.02    -0.05   0.02  -0.02     0.01  -0.02  -0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    380.8914               385.3337               406.5894
 Red. masses --      1.2778                 1.5244                 1.7773
 Frc consts  --      0.1092                 0.1334                 0.1731
 IR Inten    --     69.7508               140.9349               115.4456
 RamAct Fr= 1--      1.1398                 0.7437                 2.3789
  Dep-P Fr= 1--      0.6604                 0.5463                 0.7483
  Dep-U Fr= 1--      0.7954                 0.7066                 0.8561
 Alpha2 Fr= 1--      0.0018                 0.0029                 0.0001
 Beta2  Fr= 1--      0.1511                 0.0876                 0.3394
 AlphaG Fr= 1--     -0.0011                -0.0057                 0.0002
 Gamma2 Fr= 1--      0.0647                -0.0481                -0.3871
 Delta2 Fr= 1--      0.2040                -0.1931                -0.3520
 Raman1 Fr= 1--       4.559                  2.975                  9.515
 ROA1   Fr= 1--      12.738                -10.800                -48.427
 CID1   Fr= 1--       2.794                 -3.630                 -5.089
 Raman2 Fr= 1--       1.813                  1.051                  4.073
 ROA2   Fr= 1--      -0.080                  0.389                 -6.474
 CID2   Fr= 1--      -0.044                  0.371                 -1.590
 Raman3 Fr= 1--       3.627                  2.102                  8.146
 ROA3   Fr= 1--      12.738                -10.800                -48.427
 CID3   Fr= 1--       3.512                 -5.138                 -5.945
 RC180  Fr= 1--       0.591                  0.413                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.01     0.00  -0.00   0.04     0.04   0.03  -0.00
     2   6    -0.01   0.02   0.02     0.02   0.01   0.04     0.06  -0.02  -0.03
     3   6    -0.02  -0.03   0.01    -0.00  -0.02   0.02     0.01   0.06   0.03
     4   6    -0.00  -0.01  -0.00     0.02  -0.02  -0.01    -0.07   0.02   0.04
     5   8     0.01  -0.01  -0.01     0.04  -0.04  -0.01    -0.04  -0.02   0.01
     6   6     0.02   0.03   0.02     0.03   0.03   0.02    -0.01  -0.06  -0.02
     7   8     0.02   0.07  -0.03    -0.02   0.02  -0.01     0.05   0.05  -0.02
     8   1    -0.04  -0.01   0.01     0.02  -0.03   0.04     0.06   0.04  -0.01
     9   8    -0.01  -0.03  -0.05     0.04  -0.06  -0.07     0.06  -0.03  -0.01
    10   1    -0.05   0.03   0.03    -0.03   0.01   0.04     0.08  -0.04  -0.04
    11   1    -0.03  -0.03   0.01     0.05  -0.02   0.01     0.03   0.09   0.02
    12   8     0.00  -0.04   0.02    -0.07  -0.00  -0.02    -0.01   0.08  -0.02
    13   6    -0.00  -0.01  -0.00     0.02  -0.01  -0.01    -0.09  -0.02   0.01
    14   1    -0.00   0.00  -0.00    -0.00  -0.01  -0.00    -0.09   0.03   0.04
    15   8     0.04   0.02  -0.01    -0.05   0.07  -0.03    -0.03  -0.07  -0.00
    16   1     0.00   0.07   0.02     0.03   0.09   0.02    -0.02  -0.09  -0.03
    17   1    -0.08  -0.43   0.73    -0.01   0.06  -0.14     0.03  -0.05   0.17
    18   1    -0.04   0.07   0.19    -0.09   0.33   0.74     0.06   0.01   0.09
    19   1    -0.27  -0.02  -0.34     0.25  -0.02   0.37     0.10   0.07   0.15
    20   8    -0.00   0.00   0.00    -0.01   0.00  -0.01    -0.04   0.03   0.01
    21   1     0.01  -0.02  -0.01     0.02  -0.02  -0.02    -0.07  -0.05  -0.03
    22   1    -0.02  -0.02   0.01     0.01  -0.02  -0.00    -0.13  -0.04   0.02
    23   1    -0.00   0.05  -0.08     0.14   0.02   0.14     0.09  -0.09   0.09
    24   1     0.01  -0.01   0.00    -0.10   0.08  -0.00     0.61  -0.61  -0.12
                     16                     17                     18
                      A                      A                      A
 Frequencies --    420.6217               427.2696               455.6707
 Red. masses --      2.1974                 3.7149                 5.1156
 Frc consts  --      0.2291                 0.3996                 0.6258
 IR Inten    --     50.4607                19.3997                14.0742
 RamAct Fr= 1--      2.1823                 1.9369                 2.8282
  Dep-P Fr= 1--      0.6862                 0.5915                 0.0636
  Dep-U Fr= 1--      0.8139                 0.7434                 0.1195
 Alpha2 Fr= 1--      0.0024                 0.0057                 0.0541
 Beta2  Fr= 1--      0.2960                 0.2400                 0.0563
 AlphaG Fr= 1--      0.0021                 0.0022                -0.0151
 Gamma2 Fr= 1--     -0.7327                 0.3082                -0.0324
 Delta2 Fr= 1--     -0.2401                 0.2649                 0.0477
 Raman1 Fr= 1--       8.729                  7.748                 11.313
 ROA1   Fr= 1--     -78.022                 38.065                 -1.586
 CID1   Fr= 1--      -8.938                  4.913                 -0.140
 Raman2 Fr= 1--       3.552                  2.880                  0.676
 ROA2   Fr= 1--     -15.663                  5.278                 -1.159
 CID2   Fr= 1--      -4.409                  1.833                 -1.714
 Raman3 Fr= 1--       7.105                  5.759                  1.352
 ROA3   Fr= 1--     -78.022                 38.065                 -1.586
 CID3   Fr= 1--     -10.982                  6.609                 -1.173
 RC180  Fr= 1--       0.628                  0.487                 -0.761
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.03   0.03     0.06  -0.12   0.05     0.07  -0.10   0.03
     2   6    -0.01  -0.06  -0.03    -0.09  -0.04   0.11    -0.04  -0.02  -0.15
     3   6     0.05   0.07   0.09     0.14   0.01  -0.04     0.03  -0.08   0.22
     4   6    -0.01   0.08   0.07     0.07   0.04  -0.09     0.01   0.07   0.10
     5   8    -0.05   0.03  -0.03    -0.06   0.15   0.00     0.01   0.13   0.05
     6   6    -0.07  -0.07  -0.04    -0.10   0.08   0.07     0.06   0.07  -0.16
     7   8     0.10   0.01  -0.05    -0.01  -0.13  -0.03     0.07  -0.10  -0.06
     8   1     0.14  -0.06   0.01     0.03  -0.20   0.03     0.34  -0.07  -0.02
     9   8    -0.02  -0.06  -0.00    -0.10  -0.10  -0.05    -0.09   0.00   0.07
    10   1    -0.01  -0.13  -0.04    -0.20  -0.01   0.12     0.03  -0.21  -0.18
    11   1     0.07   0.18   0.09     0.22  -0.05  -0.06     0.07   0.02   0.21
    12   8     0.03   0.04  -0.04     0.14   0.07   0.00    -0.13  -0.18  -0.06
    13   6    -0.02   0.06   0.00     0.07   0.01  -0.00    -0.03  -0.00  -0.05
    14   1    -0.02   0.17   0.09     0.09   0.01  -0.09    -0.09   0.24   0.12
    15   8    -0.09  -0.06   0.01    -0.08   0.03  -0.01     0.12   0.19   0.05
    16   1    -0.09  -0.13  -0.04    -0.15   0.17   0.09     0.16  -0.09  -0.19
    17   1     0.06  -0.14   0.25     0.00  -0.16  -0.12     0.08  -0.09  -0.06
    18   1    -0.02  -0.02   0.08    -0.12   0.01   0.21    -0.00  -0.05   0.06
    19   1     0.15   0.07   0.01    -0.09   0.05  -0.21     0.10  -0.12   0.05
    20   8     0.05  -0.02  -0.02    -0.04   0.03   0.02    -0.10   0.04  -0.04
    21   1    -0.04   0.08   0.01     0.07   0.04   0.06     0.05  -0.07  -0.08
    22   1    -0.04   0.09  -0.05     0.17   0.03   0.02    -0.13  -0.05  -0.03
    23   1     0.01  -0.11   0.14     0.08   0.04   0.06    -0.24   0.11  -0.02
    24   1    -0.52   0.54   0.13     0.39  -0.43  -0.16     0.20  -0.26  -0.15
                     19                     20                     21
                      A                      A                      A
 Frequencies --    517.5716               567.8895               593.2295
 Red. masses --      5.2230                 3.2338                 3.8922
 Frc consts  --      0.8243                 0.6145                 0.8070
 IR Inten    --     34.8829                 3.8377                27.3312
 RamAct Fr= 1--     10.4951                 0.9586                 0.2528
  Dep-P Fr= 1--      0.1045                 0.2799                 0.6261
  Dep-U Fr= 1--      0.1892                 0.4373                 0.7701
 Alpha2 Fr= 1--      0.1817                 0.0104                 0.0006
 Beta2  Fr= 1--      0.3310                 0.0699                 0.0324
 AlphaG Fr= 1--      0.0124                 0.0039                -0.0002
 Gamma2 Fr= 1--      0.1326                 0.1084                 0.1168
 Delta2 Fr= 1--     -0.0479                 0.1111                -0.0081
 Raman1 Fr= 1--      41.980                  3.835                  1.011
 ROA1   Fr= 1--      11.194                 13.967                 10.949
 CID1   Fr= 1--       0.267                  3.642                 10.828
 Raman2 Fr= 1--       3.972                  0.839                  0.389
 ROA2   Fr= 1--       3.565                  1.714                  2.867
 CID2   Fr= 1--       0.898                  2.044                  7.365
 Raman3 Fr= 1--       7.943                  1.677                  0.779
 ROA3   Fr= 1--      11.194                 13.967                 10.949
 CID3   Fr= 1--       1.409                  8.328                 14.061
 RC180  Fr= 1--      -0.622                 -0.125                  0.540
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.08   0.14    -0.13  -0.06  -0.05    -0.08  -0.05   0.16
     2   6    -0.12  -0.03  -0.11    -0.04  -0.07   0.06     0.04  -0.18   0.03
     3   6     0.12  -0.00   0.05    -0.13   0.07  -0.00    -0.05  -0.04  -0.11
     4   6     0.14  -0.07  -0.05     0.06   0.18   0.05    -0.02   0.03  -0.14
     5   8     0.12  -0.11   0.03     0.17   0.00  -0.04    -0.05   0.18   0.06
     6   6     0.05  -0.13  -0.08     0.10  -0.06   0.07     0.01  -0.06  -0.16
     7   8    -0.10   0.22   0.01     0.07  -0.05  -0.01    -0.02   0.14  -0.02
     8   1     0.14   0.14   0.13    -0.30  -0.13  -0.03    -0.29  -0.15   0.18
     9   8    -0.21   0.04   0.06    -0.02   0.06  -0.00     0.14   0.01  -0.01
    10   1    -0.15  -0.23  -0.13    -0.08  -0.03   0.07     0.03  -0.58  -0.02
    11   1     0.29  -0.03   0.01    -0.31   0.17   0.04     0.05  -0.23  -0.13
    12   8     0.01   0.07  -0.03     0.05  -0.05   0.00     0.02  -0.06   0.03
    13   6     0.19  -0.05  -0.06     0.02  -0.01  -0.01    -0.02   0.01   0.04
    14   1     0.04  -0.09  -0.04     0.05   0.25   0.05     0.06  -0.10  -0.16
    15   8    -0.07  -0.05   0.02    -0.13  -0.00  -0.02    -0.02   0.04   0.04
    16   1     0.19  -0.30  -0.11     0.13  -0.04   0.07     0.06  -0.17  -0.17
    17   1    -0.12   0.04   0.04     0.08   0.14   0.10    -0.03   0.12   0.02
    18   1    -0.15  -0.04  -0.05    -0.16   0.13  -0.07    -0.07   0.13  -0.03
    19   1    -0.03   0.04   0.00     0.15   0.05  -0.12     0.00  -0.05  -0.01
    20   8    -0.08   0.04  -0.02    -0.03   0.00  -0.01     0.05  -0.02   0.04
    21   1     0.21  -0.04  -0.01     0.29  -0.24  -0.11     0.01  -0.01   0.05
    22   1     0.27  -0.07   0.01    -0.31  -0.17   0.04    -0.02  -0.00   0.05
    23   1    -0.15  -0.15   0.13    -0.06  -0.08   0.15    -0.16  -0.10   0.17
    24   1     0.04  -0.14  -0.19     0.11  -0.17  -0.11     0.04   0.01   0.09
                     22                     23                     24
                      A                      A                      A
 Frequencies --    630.5132               719.2839               910.3776
 Red. masses --      5.1667                 3.9538                 3.1282
 Frc consts  --      1.2102                 1.2052                 1.5275
 IR Inten    --     32.8417                 2.2993                32.6236
 RamAct Fr= 1--      0.0459                 0.5497                 4.0513
  Dep-P Fr= 1--      0.6122                 0.4292                 0.3154
  Dep-U Fr= 1--      0.7595                 0.6006                 0.4795
 Alpha2 Fr= 1--      0.0001                 0.0037                 0.0397
 Beta2  Fr= 1--      0.0058                 0.0550                 0.3238
 AlphaG Fr= 1--      0.0002                 0.0038                -0.0351
 Gamma2 Fr= 1--      0.0310                 0.1539                -0.2565
 Delta2 Fr= 1--      0.0416                 0.0549                -0.5362
 Raman1 Fr= 1--       0.184                  2.199                 16.205
 ROA1   Fr= 1--       4.307                 16.530                -41.785
 CID1   Fr= 1--      23.462                  7.517                 -2.578
 Raman2 Fr= 1--       0.070                  0.660                  3.886
 ROA2   Fr= 1--       0.410                  3.255                 -1.867
 CID2   Fr= 1--       5.886                  4.929                 -0.481
 Raman3 Fr= 1--       0.139                  1.321                  7.771
 ROA3   Fr= 1--       4.307                 16.530                -41.785
 CID3   Fr= 1--      30.892                 12.515                 -5.377
 RC180  Fr= 1--       0.519                  0.201                 -0.041
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.10  -0.09    -0.12  -0.03  -0.04    -0.00  -0.03  -0.04
     2   6     0.07   0.11  -0.06     0.01  -0.06   0.05    -0.00  -0.02   0.02
     3   6    -0.01  -0.08   0.07    -0.07   0.07   0.02     0.08  -0.07  -0.07
     4   6     0.11   0.11  -0.06     0.11  -0.08   0.19     0.16  -0.08   0.18
     5   8    -0.04   0.21   0.00    -0.15  -0.05   0.02     0.05   0.11  -0.05
     6   6    -0.10  -0.03   0.09    -0.12   0.05  -0.09     0.05  -0.00   0.01
     7   8    -0.05   0.06   0.05     0.01   0.01   0.01    -0.03   0.06   0.04
     8   1     0.20   0.26  -0.09    -0.32  -0.09  -0.01    -0.12   0.01  -0.01
     9   8     0.11  -0.04  -0.00     0.11  -0.01  -0.02    -0.00   0.00  -0.00
    10   1     0.18   0.36  -0.03     0.08  -0.18   0.02    -0.01   0.02   0.02
    11   1    -0.05  -0.17   0.08    -0.31   0.32   0.08    -0.05   0.06  -0.03
    12   8    -0.14  -0.18   0.01     0.03   0.03   0.00    -0.00  -0.00   0.00
    13   6     0.18  -0.01  -0.02     0.25  -0.06  -0.07    -0.16  -0.06   0.09
    14   1     0.11   0.19  -0.05     0.05  -0.04   0.20     0.62  -0.04   0.13
    15   8    -0.14  -0.20  -0.01     0.07   0.03   0.03    -0.04  -0.03   0.00
    16   1    -0.19  -0.09   0.10    -0.20   0.08  -0.08     0.02  -0.02   0.01
    17   1    -0.05  -0.02  -0.01     0.02   0.15   0.10    -0.04  -0.00  -0.00
    18   1     0.21  -0.08   0.05    -0.02   0.06  -0.04    -0.05   0.02  -0.01
    19   1    -0.07  -0.13  -0.04     0.08   0.07  -0.04    -0.14  -0.12   0.13
    20   8    -0.03   0.02   0.00    -0.09   0.05  -0.07    -0.04   0.03  -0.15
    21   1     0.32  -0.10  -0.01     0.16   0.02  -0.06    -0.49   0.18   0.06
    22   1     0.11  -0.08   0.03     0.36  -0.03  -0.07     0.01   0.14  -0.14
    23   1     0.10  -0.10  -0.04     0.02   0.06  -0.04    -0.04  -0.07   0.06
    24   1     0.01  -0.08  -0.15    -0.07  -0.04  -0.27     0.07   0.06   0.15
                     25                     26                     27
                      A                      A                      A
 Frequencies --    922.4700              1014.3746              1023.7932
 Red. masses --      1.9912                 3.8960                 3.9067
 Frc consts  --      0.9983                 2.3619                 2.4126
 IR Inten    --      5.4616                99.1692                52.4279
 RamAct Fr= 1--      1.8852                 0.5311                 1.1471
  Dep-P Fr= 1--      0.2836                 0.2415                 0.2346
  Dep-U Fr= 1--      0.4419                 0.3891                 0.3801
 Alpha2 Fr= 1--      0.0203                 0.0064                 0.0142
 Beta2  Fr= 1--      0.1388                 0.0344                 0.0727
 AlphaG Fr= 1--     -0.0265                 0.0093                -0.0225
 Gamma2 Fr= 1--     -0.0664                 0.5362                 0.2737
 Delta2 Fr= 1--      0.2385                 0.6504                 0.2389
 Raman1 Fr= 1--       7.541                  2.125                  4.588
 ROA1   Fr= 1--       1.253                 72.284                 33.922
 CID1   Fr= 1--       0.166                 34.024                  7.393
 Raman2 Fr= 1--       1.666                  0.413                  0.872
 ROA2   Fr= 1--      -3.503                  7.664                  4.657
 CID2   Fr= 1--      -2.102                 18.545                  5.341
 Raman3 Fr= 1--       3.332                  0.827                  1.744
 ROA3   Fr= 1--       1.253                 72.284                 33.922
 CID3   Fr= 1--       0.376                 87.451                 19.450
 RC180  Fr= 1--      -0.116                 -0.222                 -0.240
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.00  -0.03     0.07   0.10   0.20     0.23   0.05  -0.16
     2   6    -0.01  -0.02  -0.01     0.12   0.17   0.08     0.11  -0.16   0.17
     3   6    -0.02   0.07   0.11    -0.13   0.15  -0.09     0.01   0.09  -0.11
     4   6    -0.05  -0.08  -0.07     0.02  -0.02  -0.01    -0.08  -0.02   0.06
     5   8     0.02   0.08  -0.04    -0.01   0.00   0.01     0.00   0.04  -0.03
     6   6     0.09  -0.02   0.04     0.06   0.01  -0.14    -0.01  -0.08  -0.01
     7   8     0.01  -0.02  -0.01     0.05  -0.11  -0.07    -0.01   0.09   0.08
     8   1    -0.01  -0.01  -0.04    -0.09  -0.10   0.18     0.08   0.11  -0.12
     9   8     0.01   0.01   0.00    -0.11   0.02  -0.04    -0.13  -0.01  -0.03
    10   1     0.00   0.06   0.00    -0.07  -0.04   0.07     0.06  -0.15   0.16
    11   1    -0.06   0.14   0.12    -0.16   0.10  -0.07    -0.29   0.17  -0.04
    12   8    -0.00   0.01  -0.00    -0.05  -0.06   0.06    -0.06  -0.08   0.05
    13   6     0.01  -0.15  -0.06     0.03  -0.05   0.07     0.04  -0.01  -0.07
    14   1    -0.23   0.10  -0.05     0.20  -0.23  -0.05    -0.23   0.01   0.07
    15   8    -0.02  -0.00  -0.01    -0.02  -0.08   0.03     0.03   0.07  -0.03
    16   1     0.10  -0.02   0.04     0.05  -0.06  -0.13    -0.05   0.11   0.02
    17   1     0.02   0.12   0.08     0.05  -0.28  -0.21    -0.03  -0.39  -0.28
    18   1    -0.04   0.03  -0.01     0.36  -0.20   0.17    -0.38   0.10  -0.14
    19   1     0.13   0.11  -0.11     0.22   0.16  -0.20    -0.04  -0.07   0.05
    20   8     0.01   0.01   0.04    -0.02   0.02  -0.08     0.00  -0.00   0.06
    21   1    -0.38   0.23   0.23    -0.03   0.01   0.12     0.01   0.02  -0.06
    22   1     0.61   0.12  -0.13     0.12   0.02  -0.00     0.08  -0.01  -0.04
    23   1    -0.04  -0.04   0.04    -0.11  -0.18   0.13    -0.14  -0.11   0.16
    24   1     0.07   0.05   0.27     0.04   0.02   0.06    -0.04  -0.02  -0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1039.1561              1064.6092              1075.0355
 Red. masses --      2.8629                 4.2173                 4.6457
 Frc consts  --      1.8215                 2.8162                 3.1634
 IR Inten    --     32.9089                13.7859               150.9676
 RamAct Fr= 1--      0.5030                 8.7276                 1.7058
  Dep-P Fr= 1--      0.5985                 0.1349                 0.7129
  Dep-U Fr= 1--      0.7488                 0.2377                 0.8324
 Alpha2 Fr= 1--      0.0014                 0.1402                 0.0011
 Beta2  Fr= 1--      0.0628                 0.3457                 0.2366
 AlphaG Fr= 1--      0.0069                 0.0754                -0.0062
 Gamma2 Fr= 1--      0.6664                -0.7526                -1.3011
 Delta2 Fr= 1--      0.3593                -0.4560                -0.3491
 Raman1 Fr= 1--       2.012                 34.910                  6.823
 ROA1   Fr= 1--      75.472                -86.842               -136.075
 CID1   Fr= 1--      37.511                 -2.488                -19.943
 Raman2 Fr= 1--       0.753                  4.149                  2.840
 ROA2   Fr= 1--      13.119                -14.414                -28.433
 CID2   Fr= 1--      17.415                 -3.474                -10.013
 Raman3 Fr= 1--       1.507                  8.298                  5.679
 ROA3   Fr= 1--      75.472                -86.842               -136.075
 CID3   Fr= 1--      50.094                -10.466                -23.959
 RC180  Fr= 1--       0.498                 -0.525                  0.665
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.01   0.01     0.07  -0.01   0.15     0.01   0.05   0.08
     2   6    -0.00   0.15   0.09    -0.01  -0.09  -0.21    -0.01   0.01  -0.07
     3   6     0.06  -0.12  -0.03    -0.12  -0.02  -0.11    -0.02   0.06  -0.05
     4   6    -0.09  -0.06   0.14    -0.12  -0.09   0.14     0.02  -0.12   0.07
     5   8     0.01   0.09  -0.05    -0.08   0.09  -0.13     0.28   0.05   0.01
     6   6     0.09  -0.04  -0.11     0.17   0.06   0.22    -0.29   0.10  -0.02
     7   8    -0.01  -0.02  -0.01     0.02   0.01  -0.02     0.02  -0.03  -0.04
     8   1    -0.22  -0.12   0.02     0.12   0.11   0.15    -0.12   0.03   0.10
     9   8    -0.01   0.01  -0.02     0.00   0.01   0.04     0.03  -0.01   0.01
    10   1    -0.03   0.25   0.11    -0.14  -0.23  -0.20     0.01  -0.38  -0.13
    11   1     0.09  -0.02  -0.03    -0.10   0.06  -0.11    -0.10   0.14  -0.03
    12   8     0.04   0.04  -0.03     0.03   0.03   0.00    -0.02  -0.03   0.03
    13   6     0.03   0.05  -0.13     0.11   0.02   0.01    -0.08   0.00  -0.19
    14   1    -0.29   0.07   0.16    -0.11  -0.19   0.12     0.06  -0.09   0.04
    15   8    -0.01  -0.05   0.00    -0.05  -0.01   0.00    -0.03  -0.03   0.04
    16   1     0.12  -0.06  -0.12     0.15  -0.04   0.21    -0.19  -0.05  -0.03
    17   1    -0.01   0.07   0.06     0.01  -0.24  -0.17     0.01  -0.05  -0.03
    18   1     0.21  -0.09   0.08     0.02  -0.01   0.03     0.06  -0.03  -0.01
    19   1    -0.25  -0.20   0.23    -0.06  -0.04   0.06     0.06   0.05  -0.07
    20   8     0.01  -0.02   0.12    -0.01   0.00  -0.00     0.01  -0.02   0.15
    21   1     0.01   0.01  -0.26     0.08  -0.03  -0.20    -0.28   0.11  -0.27
    22   1    -0.08  -0.06  -0.01    -0.02  -0.09   0.10    -0.01  -0.00  -0.12
    23   1    -0.23  -0.29   0.26     0.23   0.23  -0.23     0.27   0.28  -0.29
    24   1    -0.11  -0.04  -0.19    -0.11  -0.01  -0.27    -0.05  -0.06  -0.08
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1085.1387              1100.6041              1112.1240
 Red. masses --      2.7408                 2.3049                 2.6797
 Frc consts  --      1.9015                 1.6450                 1.9527
 IR Inten    --    153.7214               166.8527                81.7796
 RamAct Fr= 1--      2.1975                 0.6482                 5.0723
  Dep-P Fr= 1--      0.5321                 0.4457                 0.7375
  Dep-U Fr= 1--      0.6946                 0.6165                 0.8489
 Alpha2 Fr= 1--      0.0093                 0.0040                 0.0011
 Beta2  Fr= 1--      0.2544                 0.0666                 0.7176
 AlphaG Fr= 1--      0.0077                -0.0036                -0.0012
 Gamma2 Fr= 1--      0.3581                 0.4480                -0.7889
 Delta2 Fr= 1--     -0.1396                -0.0119                -0.3873
 Raman1 Fr= 1--       8.790                  2.593                 20.289
 ROA1   Fr= 1--      29.914                 42.630                -88.123
 CID1   Fr= 1--       3.403                 16.442                 -4.343
 Raman2 Fr= 1--       3.053                  0.799                  8.612
 ROA2   Fr= 1--       9.712                 10.849                -15.834
 CID2   Fr= 1--       3.182                 13.573                 -1.839
 Raman3 Fr= 1--       6.105                  1.599                 17.223
 ROA3   Fr= 1--      29.914                 42.630                -88.123
 CID3   Fr= 1--       4.900                 26.669                 -5.116
 RC180  Fr= 1--       0.389                  0.233                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.11   0.03     0.07  -0.03   0.03    -0.09   0.26   0.01
     2   6     0.11   0.02  -0.09    -0.05   0.05  -0.00     0.07  -0.08   0.04
     3   6     0.13   0.05  -0.11    -0.10  -0.12  -0.06     0.10  -0.05  -0.01
     4   6     0.05   0.15   0.03    -0.09   0.09   0.05    -0.05   0.03   0.04
     5   8    -0.07  -0.08   0.02     0.09  -0.00   0.02     0.02  -0.00  -0.00
     6   6     0.04   0.04   0.04    -0.11  -0.03  -0.02     0.01   0.07  -0.01
     7   8    -0.02   0.04   0.01     0.00   0.03   0.02     0.02  -0.11  -0.08
     8   1    -0.40  -0.21   0.08     0.03   0.00   0.04    -0.12   0.29   0.01
     9   8    -0.07   0.03  -0.02     0.03  -0.01   0.01    -0.03  -0.01  -0.01
    10   1     0.08  -0.08  -0.10    -0.10   0.03   0.00     0.16  -0.35  -0.01
    11   1     0.10   0.12  -0.10    -0.18  -0.06  -0.05     0.26  -0.13  -0.04
    12   8    -0.03  -0.07   0.04     0.05   0.05  -0.04    -0.00  -0.01  -0.01
    13   6    -0.02  -0.05  -0.10     0.06  -0.09   0.05     0.03  -0.02   0.05
    14   1    -0.17   0.28   0.07    -0.31   0.30   0.09    -0.18   0.10   0.06
    15   8    -0.01  -0.02   0.02     0.02   0.02  -0.01    -0.03  -0.03   0.03
    16   1    -0.02  -0.03   0.04    -0.05  -0.08  -0.03    -0.00   0.11  -0.00
    17   1    -0.02   0.08   0.04    -0.01  -0.25  -0.16     0.03   0.14   0.09
    18   1     0.25  -0.12   0.12     0.13  -0.06   0.03    -0.38   0.16  -0.14
    19   1    -0.15  -0.18   0.15    -0.15  -0.11   0.14    -0.26  -0.22   0.20
    20   8    -0.00   0.00   0.06    -0.02   0.02  -0.07    -0.01   0.01  -0.05
    21   1    -0.06   0.07   0.18     0.13  -0.01   0.47     0.11  -0.03   0.20
    22   1     0.11   0.13  -0.27     0.17   0.10  -0.19     0.03   0.03  -0.03
    23   1     0.17   0.18  -0.18     0.01   0.02  -0.01     0.08   0.08  -0.09
    24   1     0.07   0.01   0.25     0.14   0.06   0.36     0.05   0.03   0.13
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1121.0793              1127.6325              1154.2106
 Red. masses --      3.4691                 4.2808                 3.6035
 Frc consts  --      2.5688                 3.2071                 2.8284
 IR Inten    --     49.8520                42.6963                33.6949
 RamAct Fr= 1--      6.2714                 5.9995                 2.3861
  Dep-P Fr= 1--      0.7451                 0.3562                 0.4201
  Dep-U Fr= 1--      0.8540                 0.5252                 0.5916
 Alpha2 Fr= 1--      0.0005                 0.0516                 0.0164
 Beta2  Fr= 1--      0.8926                 0.5252                 0.2353
 AlphaG Fr= 1--     -0.0042                 0.0120                 0.0054
 Gamma2 Fr= 1--      0.4525                -1.5833                 1.6147
 Delta2 Fr= 1--     -0.3438                -1.1853                 1.1201
 Raman1 Fr= 1--      25.086                 23.998                  9.544
 ROA1   Fr= 1--      32.440               -189.928                190.851
 CID1   Fr= 1--       1.293                 -7.914                 19.997
 Raman2 Fr= 1--      10.711                  6.303                  2.823
 ROA2   Fr= 1--      13.610                -28.517                 29.791
 CID2   Fr= 1--       1.271                 -4.525                 10.552
 Raman3 Fr= 1--      21.422                 12.605                  5.647
 ROA3   Fr= 1--      32.440               -189.928                190.851
 CID3   Fr= 1--       1.514                -15.068                 33.800
 RC180  Fr= 1--       0.708                  0.050                  0.183
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.10   0.00    -0.02   0.01   0.02     0.05  -0.13  -0.12
     2   6     0.25   0.00  -0.03    -0.21   0.05  -0.03    -0.06   0.01   0.01
     3   6     0.03   0.00   0.07     0.20   0.22  -0.14     0.06   0.05   0.02
     4   6    -0.12  -0.10  -0.01    -0.12  -0.02   0.05    -0.09  -0.06  -0.04
     5   8     0.08   0.08  -0.02     0.04   0.01  -0.04     0.07  -0.00  -0.01
     6   6    -0.12  -0.09   0.06    -0.05  -0.12   0.03     0.08   0.26  -0.13
     7   8    -0.02   0.02   0.01    -0.01  -0.03  -0.03    -0.02   0.06   0.06
     8   1    -0.18  -0.28   0.01    -0.04   0.04   0.01    -0.00  -0.25  -0.13
     9   8    -0.13   0.04  -0.05     0.13  -0.02   0.04     0.02  -0.00   0.00
    10   1     0.34   0.12  -0.03    -0.31   0.26   0.02    -0.04  -0.33  -0.04
    11   1     0.10   0.02   0.05     0.40   0.27  -0.16    -0.11   0.19   0.06
    12   8     0.01   0.02  -0.01    -0.08  -0.13   0.10    -0.01  -0.02   0.01
    13   6     0.05   0.02   0.14     0.05  -0.01   0.09     0.02   0.03   0.10
    14   1    -0.14  -0.10  -0.01    -0.20  -0.17   0.04    -0.45  -0.14  -0.01
    15   8     0.02   0.06  -0.03     0.04   0.07  -0.05    -0.08  -0.15   0.11
    16   1    -0.15  -0.16   0.06     0.06  -0.20   0.00     0.14   0.37  -0.12
    17   1    -0.01   0.37   0.25     0.00   0.18   0.16    -0.03   0.03   0.02
    18   1     0.19  -0.13   0.07     0.04   0.02  -0.01     0.03   0.00   0.04
    19   1    -0.01  -0.01   0.03    -0.06  -0.11   0.05     0.01  -0.00   0.01
    20   8     0.00   0.00  -0.09    -0.00   0.01  -0.06     0.00  -0.01  -0.07
    21   1     0.13  -0.09  -0.01     0.13  -0.06   0.10     0.21  -0.10   0.11
    22   1    -0.01  -0.11   0.29     0.07  -0.04   0.13    -0.02  -0.07   0.22
    23   1     0.13   0.14  -0.10    -0.13  -0.12   0.15     0.07   0.03  -0.10
    24   1    -0.04   0.02  -0.15     0.01   0.00  -0.06     0.03   0.02   0.07
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1206.0550              1240.4314              1245.9996
 Red. masses --      1.2567                 1.2165                 1.1459
 Frc consts  --      1.0770                 1.1028                 1.0481
 IR Inten    --      5.9616                47.7260                28.3942
 RamAct Fr= 1--      1.9498                 1.7788                 2.3528
  Dep-P Fr= 1--      0.0673                 0.6100                 0.7321
  Dep-U Fr= 1--      0.1260                 0.7578                 0.8453
 Alpha2 Fr= 1--      0.0370                 0.0046                 0.0007
 Beta2  Fr= 1--      0.0410                 0.2247                 0.3315
 AlphaG Fr= 1--     -0.0093                -0.0168                 0.0057
 Gamma2 Fr= 1--     -0.1771                 0.7387                 0.0337
 Delta2 Fr= 1--     -0.0870                -0.2797                 0.1660
 Raman1 Fr= 1--       7.799                  7.115                  9.411
 ROA1   Fr= 1--     -19.787                 61.964                  8.544
 CID1   Fr= 1--      -2.537                  8.708                  0.908
 Raman2 Fr= 1--       0.491                  2.696                  3.978
 ROA2   Fr= 1--      -3.555                 19.966                 -0.520
 CID2   Fr= 1--      -7.233                  7.406                 -0.131
 Raman3 Fr= 1--       0.983                  5.392                  7.955
 ROA3   Fr= 1--     -19.787                 61.964                  8.544
 CID3   Fr= 1--     -20.131                 11.492                  1.074
 RC180  Fr= 1--      -0.748                  0.516                  0.691
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06   0.03    -0.02  -0.04   0.07     0.01   0.02   0.01
     2   6     0.03  -0.04  -0.02     0.01  -0.01  -0.03     0.02  -0.05  -0.04
     3   6    -0.05   0.02  -0.04    -0.01   0.00  -0.03    -0.02  -0.00  -0.01
     4   6    -0.02   0.01   0.06    -0.00   0.03  -0.02     0.01   0.01  -0.03
     5   8     0.02   0.01  -0.01     0.01  -0.02   0.02     0.01  -0.01   0.02
     6   6     0.00   0.03  -0.03    -0.01   0.03  -0.04    -0.02   0.01   0.03
     7   8    -0.01   0.00  -0.00     0.01   0.01  -0.01    -0.01  -0.01  -0.01
     8   1     0.45   0.05  -0.04    -0.04   0.17   0.10     0.18   0.08  -0.02
     9   8    -0.01  -0.00  -0.00     0.00  -0.02   0.01    -0.01   0.03  -0.00
    10   1     0.22   0.32   0.00     0.31   0.44  -0.02    -0.26  -0.17  -0.02
    11   1     0.27  -0.18  -0.12     0.01   0.21  -0.02    -0.11   0.19   0.02
    12   8    -0.00  -0.00   0.01     0.01  -0.01   0.01     0.02  -0.01  -0.01
    13   6     0.02  -0.01  -0.05    -0.01  -0.03   0.04    -0.01  -0.01   0.01
    14   1     0.04  -0.30   0.03    -0.06   0.28   0.00     0.02   0.11  -0.02
    15   8    -0.00  -0.02   0.01    -0.00  -0.02   0.01     0.02  -0.01  -0.02
    16   1    -0.12   0.29   0.01     0.01   0.19  -0.03    -0.16   0.48   0.08
    17   1    -0.00   0.22   0.16     0.00  -0.18  -0.12    -0.00   0.21   0.15
    18   1    -0.15   0.06  -0.06    -0.32   0.13  -0.13     0.34  -0.14   0.14
    19   1     0.09   0.08  -0.09    -0.07  -0.07   0.07    -0.17  -0.15   0.15
    20   8    -0.01   0.01   0.01     0.01  -0.00  -0.01     0.01  -0.00  -0.00
    21   1     0.12  -0.02   0.16    -0.23   0.06  -0.19    -0.09   0.02  -0.07
    22   1    -0.10   0.08  -0.24     0.20  -0.09   0.25     0.07  -0.03   0.08
    23   1    -0.09  -0.10   0.10    -0.03  -0.04   0.03    -0.23  -0.27   0.26
    24   1     0.06   0.02   0.20    -0.09  -0.02  -0.27    -0.03  -0.01  -0.09
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1251.0780              1259.0050              1326.4334
 Red. masses --      1.2673                 1.2026                 1.1970
 Frc consts  --      1.1687                 1.1231                 1.2408
 IR Inten    --     31.7783                15.0240                22.1333
 RamAct Fr= 1--      2.8226                 4.6362                 2.8395
  Dep-P Fr= 1--      0.7493                 0.7487                 0.3104
  Dep-U Fr= 1--      0.8567                 0.8563                 0.4738
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0282
 Beta2  Fr= 1--      0.4030                 0.6616                 0.2242
 AlphaG Fr= 1--      0.0002                -0.0026                -0.0275
 Gamma2 Fr= 1--      0.0429                 0.2458                -0.6317
 Delta2 Fr= 1--      0.4951                -0.3148                -0.1165
 Raman1 Fr= 1--      11.291                 18.545                 11.358
 ROA1   Fr= 1--      19.967                 13.526                -64.375
 CID1   Fr= 1--       1.768                  0.729                 -5.668
 Raman2 Fr= 1--       4.836                  7.940                  2.691
 ROA2   Fr= 1--      -2.930                  8.419                -14.229
 CID2   Fr= 1--      -0.606                  1.060                 -5.288
 Raman3 Fr= 1--       9.673                 15.879                  5.381
 ROA3   Fr= 1--      19.967                 13.526                -64.375
 CID3   Fr= 1--       2.064                  0.852                -11.963
 RC180  Fr= 1--       0.713                  0.713                 -0.052
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.03     0.00  -0.01   0.04     0.03   0.00   0.00
     2   6    -0.01   0.03   0.07    -0.00   0.02   0.02    -0.00   0.03  -0.02
     3   6    -0.05   0.01  -0.05    -0.02   0.01  -0.00     0.00  -0.00  -0.02
     4   6    -0.03   0.06   0.01     0.04  -0.06  -0.06    -0.06  -0.06  -0.01
     5   8    -0.00  -0.02   0.01    -0.02   0.01   0.00    -0.01  -0.01   0.00
     6   6     0.01   0.00  -0.02     0.01  -0.02  -0.01    -0.05   0.02   0.05
     7   8    -0.02  -0.01   0.01    -0.01  -0.01  -0.01    -0.01  -0.00   0.00
     8   1     0.52  -0.14  -0.14     0.26   0.03   0.00    -0.07  -0.14  -0.00
     9   8    -0.00   0.00  -0.01    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00
    10   1     0.02  -0.21   0.04     0.11   0.07   0.02     0.22  -0.14  -0.06
    11   1     0.12  -0.05  -0.09    -0.22   0.63   0.07     0.05   0.02  -0.03
    12   8     0.01  -0.01   0.00     0.03  -0.01  -0.00    -0.01   0.00   0.01
    13   6     0.02  -0.05   0.02    -0.02   0.05  -0.03     0.02   0.01  -0.01
    14   1     0.14   0.14  -0.00     0.04  -0.03  -0.06     0.38   0.50  -0.02
    15   8    -0.01   0.00   0.01    -0.01   0.01   0.00     0.02  -0.01  -0.01
    16   1     0.14  -0.28  -0.06     0.02  -0.20  -0.02     0.55   0.12  -0.02
    17   1    -0.01   0.29   0.21    -0.00   0.11   0.08    -0.00   0.08   0.06
    18   1     0.02  -0.01   0.02    -0.13   0.05  -0.05    -0.09   0.04  -0.03
    19   1    -0.08  -0.07   0.06    -0.26  -0.24   0.24     0.09   0.08  -0.08
    20   8     0.01   0.01   0.01    -0.01  -0.01   0.00    -0.00   0.01   0.01
    21   1    -0.25   0.09  -0.16     0.21  -0.08   0.11     0.13  -0.04   0.08
    22   1     0.18  -0.04   0.09    -0.14   0.04  -0.08    -0.11   0.04  -0.15
    23   1     0.16   0.18  -0.17     0.07   0.09  -0.08    -0.14  -0.16   0.14
    24   1    -0.10  -0.02  -0.28     0.09   0.00   0.23     0.01   0.00   0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1332.9666              1346.3991              1353.3473
 Red. masses --      1.3562                 1.2940                 1.2787
 Frc consts  --      1.4198                 1.3821                 1.3799
 IR Inten    --     38.2173                30.8310                51.4767
 RamAct Fr= 1--      3.3463                 2.4238                 1.7006
  Dep-P Fr= 1--      0.7472                 0.7291                 0.5301
  Dep-U Fr= 1--      0.8553                 0.8433                 0.6929
 Alpha2 Fr= 1--      0.0002                 0.0009                 0.0072
 Beta2  Fr= 1--      0.4770                 0.3407                 0.1964
 AlphaG Fr= 1--      0.0009                 0.0054                 0.0034
 Gamma2 Fr= 1--      1.4607                 0.2480                -0.7308
 Delta2 Fr= 1--     -0.2940                -0.4998                 0.2043
 Raman1 Fr= 1--      13.385                  9.695                  6.802
 ROA1   Fr= 1--     130.821                  7.811                -63.621
 CID1   Fr= 1--       9.773                  0.806                 -9.353
 Raman2 Fr= 1--       5.724                  4.088                  2.357
 ROA2   Fr= 1--      37.409                  9.949                -19.174
 CID2   Fr= 1--       6.535                  2.434                 -8.136
 Raman3 Fr= 1--      11.448                  8.176                  4.713
 ROA3   Fr= 1--     130.821                  7.811                -63.621
 CID3   Fr= 1--      11.427                  0.955                -13.499
 RC180  Fr= 1--       0.711                  0.687                  0.386
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.03    -0.04  -0.02  -0.01    -0.09  -0.02  -0.05
     2   6     0.00  -0.01  -0.02    -0.04   0.10   0.00    -0.01  -0.05   0.05
     3   6    -0.02   0.05   0.08    -0.01  -0.01   0.01    -0.04   0.00   0.00
     4   6    -0.09   0.05  -0.03     0.03   0.04   0.00    -0.01  -0.04   0.01
     5   8     0.01  -0.01   0.00     0.00  -0.00  -0.02     0.00   0.01   0.00
     6   6    -0.01   0.01  -0.01    -0.01   0.01   0.07     0.00  -0.01  -0.01
     7   8     0.02   0.01   0.02     0.01   0.01   0.01     0.03   0.02   0.01
     8   1    -0.20  -0.15  -0.01     0.09  -0.04  -0.03     0.14   0.38  -0.03
     9   8     0.00   0.00   0.00     0.00  -0.01  -0.02    -0.01   0.04  -0.02
    10   1    -0.07   0.09   0.00     0.55  -0.52  -0.14     0.07  -0.06   0.04
    11   1     0.18   0.06   0.04     0.08   0.11  -0.00     0.54   0.21  -0.11
    12   8     0.03  -0.01  -0.03     0.01  -0.00   0.00     0.00  -0.00   0.02
    13   6     0.04  -0.05   0.00    -0.01  -0.02   0.01    -0.00   0.03  -0.02
    14   1     0.49  -0.38  -0.12    -0.18  -0.31  -0.00     0.09   0.19   0.01
    15   8    -0.00  -0.00   0.01     0.02  -0.00  -0.04    -0.01   0.00   0.01
    16   1     0.06   0.10  -0.02    -0.11  -0.07   0.08     0.05   0.00  -0.01
    17   1     0.01  -0.22  -0.14     0.00  -0.17  -0.12     0.01  -0.33  -0.22
    18   1     0.01  -0.01   0.00    -0.08   0.03  -0.03     0.38  -0.15   0.14
    19   1    -0.29  -0.26   0.25    -0.02  -0.02   0.02     0.02   0.02  -0.02
    20   8     0.01   0.02   0.02     0.01   0.00   0.00    -0.01  -0.01  -0.01
    21   1    -0.03   0.02   0.07    -0.06   0.02   0.01     0.07  -0.03  -0.02
    22   1    -0.08   0.08  -0.27     0.02   0.00   0.00     0.05  -0.04   0.10
    23   1     0.02   0.02  -0.02    -0.20  -0.23   0.21     0.07   0.08  -0.07
    24   1    -0.08  -0.01  -0.22    -0.02  -0.00  -0.07     0.05   0.01   0.14
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1365.3787              1383.6440              1393.5615
 Red. masses --      1.2035                 1.2568                 1.3646
 Frc consts  --      1.3220                 1.4176                 1.5613
 IR Inten    --      2.8207                14.8089                 5.8365
 RamAct Fr= 1--      0.5277                 1.5059                 3.3950
  Dep-P Fr= 1--      0.5888                 0.7260                 0.6142
  Dep-U Fr= 1--      0.7412                 0.8412                 0.7610
 Alpha2 Fr= 1--      0.0016                 0.0006                 0.0085
 Beta2  Fr= 1--      0.0652                 0.2111                 0.4306
 AlphaG Fr= 1--      0.0018                -0.0078                -0.0147
 Gamma2 Fr= 1--      0.0274                 0.1809                 0.5096
 Delta2 Fr= 1--     -0.1553                 0.7195                 0.0211
 Raman1 Fr= 1--       2.111                  6.023                 13.580
 ROA1   Fr= 1--      -2.339                 40.390                 49.594
 CID1   Fr= 1--      -1.108                  6.705                  3.652
 Raman2 Fr= 1--       0.782                  2.534                  5.167
 ROA2   Fr= 1--       1.899                 -1.415                 12.061
 CID2   Fr= 1--       2.428                 -0.558                  2.334
 Raman3 Fr= 1--       1.565                  5.067                 10.335
 ROA3   Fr= 1--      -2.339                 40.390                 49.594
 CID3   Fr= 1--      -1.495                  7.971                  4.799
 RC180  Fr= 1--       0.482                  0.682                  0.522
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04   0.02     0.02   0.01   0.01    -0.01   0.06  -0.01
     2   6    -0.02  -0.04   0.05    -0.01  -0.02   0.00     0.03  -0.04  -0.01
     3   6     0.06  -0.00   0.00    -0.03   0.05   0.02    -0.05  -0.04   0.00
     4   6     0.00   0.03  -0.01     0.02   0.04   0.03     0.11   0.01  -0.01
     5   8    -0.01  -0.00  -0.02    -0.01  -0.00  -0.02    -0.01   0.01  -0.03
     6   6    -0.03  -0.00   0.00    -0.05   0.00   0.02    -0.07  -0.00   0.01
     7   8    -0.01  -0.00  -0.03    -0.00  -0.00  -0.00     0.01   0.00   0.01
     8   1     0.02   0.56   0.11    -0.05  -0.07   0.01     0.02  -0.36  -0.08
     9   8    -0.01   0.02  -0.02    -0.00   0.00  -0.01     0.00  -0.00   0.01
    10   1     0.21   0.05   0.04     0.11   0.07  -0.00    -0.18   0.15   0.03
    11   1    -0.38  -0.08   0.09    -0.06  -0.27   0.02     0.31   0.24  -0.07
    12   8    -0.01   0.00  -0.01     0.02  -0.01  -0.03     0.00  -0.00   0.01
    13   6     0.00  -0.03   0.02    -0.04   0.05  -0.06    -0.02  -0.02   0.03
    14   1    -0.10  -0.23  -0.02     0.08  -0.23   0.00    -0.47  -0.18   0.04
    15   8    -0.00   0.00   0.01     0.01  -0.00   0.00     0.01  -0.00   0.01
    16   1     0.43   0.01  -0.06     0.40   0.03  -0.05     0.53   0.08  -0.07
    17   1    -0.00   0.07   0.05    -0.00   0.01   0.02     0.00  -0.05  -0.03
    18   1     0.24  -0.10   0.09     0.05  -0.02   0.02     0.01  -0.01   0.00
    19   1     0.03   0.02  -0.02    -0.18  -0.16   0.15     0.02   0.02  -0.02
    20   8     0.01   0.02   0.01    -0.02  -0.03  -0.02     0.01   0.01   0.00
    21   1    -0.04   0.02   0.08     0.10  -0.05  -0.09    -0.10   0.04   0.03
    22   1    -0.12   0.07  -0.19     0.41  -0.14   0.47    -0.14   0.04  -0.11
    23   1     0.04   0.05  -0.05    -0.03  -0.02   0.02    -0.01  -0.00   0.00
    24   1    -0.06  -0.01  -0.21     0.11   0.01   0.34    -0.03  -0.01  -0.13
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1422.0455              1428.6032              1441.0602
 Red. masses --      1.5130                 1.4409                 1.4062
 Frc consts  --      1.8027                 1.7326                 1.7206
 IR Inten    --     24.0902                19.8737                 2.0020
 RamAct Fr= 1--      3.7300                 4.1503                 2.2285
  Dep-P Fr= 1--      0.7053                 0.4517                 0.4534
  Dep-U Fr= 1--      0.8272                 0.6223                 0.6239
 Alpha2 Fr= 1--      0.0029                 0.0253                 0.0135
 Beta2  Fr= 1--      0.5142                 0.4305                 0.2317
 AlphaG Fr= 1--      0.0007                 0.0253                -0.0068
 Gamma2 Fr= 1--      0.2623                -0.3201                -0.0832
 Delta2 Fr= 1--     -0.2226                 0.5537                -0.2421
 Raman1 Fr= 1--      14.920                 16.601                  8.914
 ROA1   Fr= 1--      18.056                -13.013                -15.732
 CID1   Fr= 1--       1.210                 -0.784                 -1.765
 Raman2 Fr= 1--       6.171                  5.166                  2.781
 ROA2   Fr= 1--       8.075                -12.113                 -0.059
 CID2   Fr= 1--       1.309                 -2.345                 -0.021
 Raman3 Fr= 1--      12.342                 10.331                  5.562
 ROA3   Fr= 1--      18.056                -13.013                -15.732
 CID3   Fr= 1--       1.463                 -1.260                 -2.829
 RC180  Fr= 1--       0.654                  0.245                  0.248
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12   0.02  -0.01     0.08   0.02  -0.00     0.08  -0.08  -0.03
     2   6    -0.09  -0.06   0.01    -0.05  -0.05   0.01     0.06   0.07   0.00
     3   6    -0.07   0.04   0.02    -0.06   0.02   0.01    -0.07  -0.03   0.02
     4   6     0.03  -0.02  -0.02     0.05  -0.04   0.01     0.00   0.03   0.00
     5   8     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.02   0.03   0.00     0.03   0.03   0.00    -0.01   0.01   0.01
     7   8    -0.02  -0.01  -0.01    -0.01  -0.01  -0.01    -0.02  -0.01  -0.02
     8   1    -0.34  -0.01   0.07    -0.20  -0.03   0.04    -0.32   0.54   0.14
     9   8    -0.00   0.02  -0.02    -0.00   0.01  -0.01     0.00  -0.03   0.02
    10   1     0.40   0.12  -0.02     0.23   0.11  -0.00    -0.36  -0.19   0.01
    11   1     0.20  -0.07  -0.04     0.17  -0.08  -0.04     0.34   0.20  -0.06
    12   8     0.01  -0.01  -0.01     0.01  -0.00  -0.00     0.01   0.00   0.01
    13   6     0.08   0.00   0.05    -0.11  -0.02  -0.03    -0.00  -0.00  -0.01
    14   1    -0.15   0.09   0.01    -0.06   0.11   0.04     0.01  -0.13  -0.01
    15   8     0.00   0.00  -0.01    -0.00  -0.00  -0.01     0.00  -0.01  -0.01
    16   1    -0.13  -0.12   0.01    -0.18  -0.16   0.02     0.08  -0.08  -0.01
    17   1    -0.01   0.20   0.14    -0.00   0.13   0.09    -0.01   0.24   0.16
    18   1     0.17  -0.07   0.07     0.12  -0.05   0.05    -0.26   0.11  -0.09
    19   1    -0.10  -0.09   0.09    -0.05  -0.05   0.05     0.03   0.03  -0.02
    20   8    -0.03  -0.02  -0.00     0.04   0.03   0.01    -0.00  -0.00  -0.00
    21   1    -0.29   0.15  -0.36     0.34  -0.19   0.50    -0.01   0.01   0.00
    22   1    -0.27   0.02  -0.17     0.20   0.02   0.07     0.07  -0.02   0.07
    23   1    -0.01  -0.01   0.01    -0.01  -0.02   0.02    -0.05  -0.06   0.04
    24   1     0.09  -0.00   0.28    -0.15   0.00  -0.47     0.01  -0.00   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1446.8126              1462.0526              1498.4877
 Red. masses --      1.6632                 1.6558                 1.0825
 Frc consts  --      2.0513                 2.0854                 1.4321
 IR Inten    --     21.3822                 5.8911                 5.2900
 RamAct Fr= 1--      2.0634                 3.7060                 5.6615
  Dep-P Fr= 1--      0.6729                 0.6465                 0.6712
  Dep-U Fr= 1--      0.8045                 0.7853                 0.8032
 Alpha2 Fr= 1--      0.0028                 0.0069                 0.0079
 Beta2  Fr= 1--      0.2767                 0.4850                 0.7579
 AlphaG Fr= 1--      0.0200                -0.0241                 0.0120
 Gamma2 Fr= 1--      0.1655                 0.0146                -0.1562
 Delta2 Fr= 1--     -0.4681                 0.6767                -0.3277
 Raman1 Fr= 1--       8.254                 14.824                 22.646
 ROA1   Fr= 1--       0.910                 23.053                -25.484
 CID1   Fr= 1--       0.110                  1.555                 -1.125
 Raman2 Fr= 1--       3.320                  5.820                  9.095
 ROA2   Fr= 1--       7.717                 -5.064                 -1.128
 CID2   Fr= 1--       2.325                 -0.870                 -0.124
 Raman3 Fr= 1--       6.640                 11.641                 18.190
 ROA3   Fr= 1--       0.910                 23.053                -25.484
 CID3   Fr= 1--       0.137                  1.980                 -1.401
 RC180  Fr= 1--       0.609                  0.571                  0.606
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.06   0.00     0.03  -0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.05  -0.05   0.00    -0.05   0.09   0.00     0.00   0.00  -0.00
     3   6     0.04  -0.16  -0.02    -0.02   0.02   0.01    -0.00   0.01   0.00
     4   6    -0.08   0.09   0.01     0.03  -0.02   0.00     0.01  -0.01  -0.00
     5   8     0.01  -0.01   0.00    -0.01   0.03  -0.00    -0.00  -0.00   0.00
     6   6     0.02  -0.01  -0.01     0.03  -0.19  -0.03     0.00   0.00   0.00
     7   8    -0.02  -0.01  -0.00    -0.01  -0.01  -0.00     0.00   0.00   0.00
     8   1    -0.17  -0.18   0.01    -0.10  -0.01   0.02     0.01   0.00  -0.00
     9   8    -0.00   0.01  -0.01     0.01  -0.01   0.00    -0.00  -0.00   0.00
    10   1     0.23   0.10  -0.01     0.18  -0.23  -0.06    -0.00  -0.00  -0.00
    11   1    -0.00   0.56   0.01     0.06  -0.06  -0.02    -0.01  -0.03   0.00
    12   8    -0.03   0.02   0.03     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   6     0.01  -0.00  -0.03    -0.01   0.00  -0.00     0.05   0.00  -0.06
    14   1     0.26  -0.30  -0.05    -0.07   0.04   0.02     0.03   0.02  -0.01
    15   8    -0.01   0.00   0.01    -0.02   0.02   0.05     0.00  -0.00  -0.00
    16   1    -0.05   0.09   0.00     0.02   0.77   0.02     0.00  -0.00   0.00
    17   1    -0.01   0.15   0.09    -0.00   0.06   0.04     0.00  -0.01  -0.00
    18   1     0.14  -0.05   0.05    -0.05   0.02  -0.03    -0.00   0.00  -0.00
    19   1     0.27   0.25  -0.23    -0.03  -0.03   0.03    -0.02  -0.02   0.01
    20   8    -0.00  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00  -0.01
    21   1     0.00   0.02   0.02     0.04  -0.02   0.04    -0.27   0.41   0.53
    22   1     0.18  -0.08   0.19    -0.01   0.01  -0.01    -0.42  -0.42   0.35
    23   1     0.05   0.06  -0.05     0.25   0.30  -0.26    -0.00  -0.00   0.00
    24   1     0.02  -0.00   0.06    -0.01   0.00  -0.04     0.00   0.00  -0.02
                     55                     56                     57
                      A                      A                      A
 Frequencies --   2950.5863              2980.0899              2985.5961
 Red. masses --      1.0826                 1.0814                 1.0798
 Frc consts  --      5.5529                 5.6584                 5.6707
 IR Inten    --     33.2767                 5.7454                27.9298
 RamAct Fr= 1--     62.1385                22.5314               169.2471
  Dep-P Fr= 1--      0.1653                 0.0633                 0.2560
  Dep-U Fr= 1--      0.2837                 0.1190                 0.4076
 Alpha2 Fr= 1--      0.9239                 0.4312                 1.9725
 Beta2  Fr= 1--      2.9379                 0.4470                11.4977
 AlphaG Fr= 1--     -0.9806                -0.3762                 0.3313
 Gamma2 Fr= 1--     -5.9387                -1.8703                17.1072
 Delta2 Fr= 1--     -0.0916                -2.3332                14.9647
 Raman1 Fr= 1--     248.554                 90.126                676.988
 ROA1   Fr= 1--    -573.047               -254.210               2121.156
 CID1   Fr= 1--      -2.306                 -2.821                  3.133
 Raman2 Fr= 1--      35.255                  5.363                137.973
 ROA2   Fr= 1--    -141.796                -26.221                290.855
 CID2   Fr= 1--      -4.022                 -4.889                  2.108
 Raman3 Fr= 1--      70.509                 10.727                275.946
 ROA3   Fr= 1--    -573.047               -254.210               2121.156
 CID3   Fr= 1--      -8.127                -23.698                  7.687
 RC180  Fr= 1--      -0.433                 -0.762                 -0.185
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.01    -0.01   0.01  -0.06    -0.01   0.01  -0.05
     2   6    -0.00  -0.00   0.01    -0.00  -0.00   0.01    -0.00  -0.00   0.01
     3   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.02
     4   6     0.00   0.00   0.00     0.01  -0.00   0.05    -0.01   0.00  -0.06
     5   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.01   0.00  -0.08     0.00  -0.00  -0.01    -0.00   0.00  -0.01
     7   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   1    -0.03   0.02  -0.14     0.14  -0.11   0.73     0.11  -0.09   0.57
     9   8     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   1    -0.01   0.01  -0.09    -0.02   0.02  -0.14    -0.02   0.02  -0.13
    11   1     0.00   0.00   0.02    -0.00  -0.00  -0.02    -0.04   0.01  -0.21
    12   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   6     0.00  -0.00  -0.00     0.01  -0.01  -0.01    -0.01   0.01   0.01
    14   1    -0.01  -0.00  -0.05    -0.06   0.05  -0.60     0.07  -0.06   0.69
    15   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    16   1     0.14  -0.06   0.97     0.00  -0.00   0.06     0.02  -0.01   0.12
    17   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    18   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    20   8     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    21   1    -0.00  -0.00  -0.00    -0.02  -0.04   0.01     0.03   0.06  -0.02
    22   1    -0.00   0.01   0.00    -0.05   0.15   0.09     0.08  -0.23  -0.15
    23   1     0.01   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    24   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3005.4227              3018.0293              3032.1531
 Red. masses --      1.0737                 1.0838                 1.0849
 Frc consts  --      5.7139                 5.8165                 5.8768
 IR Inten    --     75.5388                11.5714                63.4932
 RamAct Fr= 1--    213.4989                10.3418                40.0786
  Dep-P Fr= 1--      0.0925                 0.2432                 0.1414
  Dep-U Fr= 1--      0.1693                 0.3912                 0.2478
 Alpha2 Fr= 1--      3.8072                 0.1249                 0.6332
 Beta2  Fr= 1--      6.0247                 0.6744                 1.6551
 AlphaG Fr= 1--      0.6693                 0.1636                -0.0411
 Gamma2 Fr= 1--     -8.0876                -1.2492                 1.3045
 Delta2 Fr= 1--    -10.7669                -2.0146                -0.0220
 Raman1 Fr= 1--     853.995                 41.367                160.314
 ROA1   Fr= 1--   -1120.950               -184.389                124.522
 CID1   Fr= 1--      -1.313                 -4.457                  0.777
 Raman2 Fr= 1--      72.297                  8.092                 19.861
 ROA2   Fr= 1--    -107.967                -13.864                 31.483
 CID2   Fr= 1--      -1.493                 -1.713                  1.585
 Raman3 Fr= 1--     144.594                 16.184                 39.721
 ROA3   Fr= 1--   -1120.950               -184.389                124.522
 CID3   Fr= 1--      -7.752                -11.393                  3.135
 RC180  Fr= 1--      -0.661                 -0.218                 -0.504
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.01    -0.00   0.00  -0.02
     2   6    -0.00  -0.00   0.00    -0.01   0.01  -0.07    -0.00   0.00  -0.04
     3   6     0.00   0.00   0.01     0.01  -0.00   0.04    -0.02   0.00  -0.07
     4   6    -0.00  -0.00  -0.03     0.00  -0.00   0.01    -0.00   0.00  -0.01
     5   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.01    -0.00   0.00  -0.01
     7   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   1     0.01  -0.01   0.03     0.01  -0.02   0.08     0.04  -0.03   0.21
     9   8     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   1    -0.00   0.00  -0.02     0.10  -0.11   0.86     0.05  -0.06   0.42
    11   1    -0.02   0.01  -0.09    -0.09   0.02  -0.44     0.18  -0.03   0.84
    12   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    13   6     0.03  -0.05  -0.04    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   1     0.04  -0.03   0.33    -0.01   0.00  -0.07     0.01  -0.01   0.16
    15   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    16   1     0.00  -0.00   0.02     0.01  -0.00   0.09     0.01  -0.00   0.06
    17   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    18   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    19   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    20   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    21   1    -0.09  -0.15   0.04     0.00   0.00   0.00    -0.00  -0.00  -0.00
    22   1    -0.26   0.74   0.48     0.00  -0.01  -0.00    -0.01   0.02   0.01
    23   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    24   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3116.0083              3778.8962              3787.5715
 Red. masses --      1.0926                 1.0655                 1.0659
 Frc consts  --      6.2506                 8.9645                 9.0095
 IR Inten    --      9.6591                31.6783                44.1527
 RamAct Fr= 1--     71.5846                42.2708                57.1072
  Dep-P Fr= 1--      0.3271                 0.0889                 0.2126
  Dep-U Fr= 1--      0.4929                 0.1633                 0.3506
 Alpha2 Fr= 1--      0.6759                 0.7604                 0.7499
 Beta2  Fr= 1--      5.8812                 1.1505                 3.3371
 AlphaG Fr= 1--     -0.0625                -0.2293                -0.3457
 Gamma2 Fr= 1--      2.0787                -1.7328                -6.3349
 Delta2 Fr= 1--      0.2757                 0.2255                -0.2979
 Raman1 Fr= 1--     286.338                169.083                228.429
 ROA1   Fr= 1--     208.382               -159.135               -617.686
 CID1   Fr= 1--       0.728                 -0.941                 -2.704
 Raman2 Fr= 1--      70.574                 13.806                 40.045
 ROA2   Fr= 1--      47.684                -43.392               -149.656
 CID2   Fr= 1--       0.676                 -3.143                 -3.737
 Raman3 Fr= 1--     141.148                 27.612                 80.090
 ROA3   Fr= 1--     208.382               -159.135               -617.686
 CID3   Fr= 1--       1.476                 -5.763                 -7.712
 RC180  Fr= 1--      -0.014                 -0.673                 -0.299
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   8     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
     8   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   8    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    10   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    11   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    12   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02  -0.05  -0.02
    13   6    -0.04  -0.08   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    14   1    -0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
    15   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    16   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    17   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.17  -0.02   0.01
    18   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.00
    19   1     0.00   0.00   0.00    -0.01   0.02   0.01    -0.37   0.84   0.35
    20   8     0.00   0.00   0.00    -0.04  -0.04   0.02     0.00   0.00  -0.00
    21   1     0.57   0.77  -0.24     0.01   0.01  -0.00    -0.00  -0.00   0.00
    22   1    -0.06   0.13   0.09    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    23   1     0.00   0.00   0.00    -0.00   0.01   0.00    -0.00   0.01   0.01
    24   1    -0.01  -0.01  -0.00     0.63   0.71  -0.30    -0.01  -0.02   0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3789.3946              3794.9103              3797.2167
 Red. masses --      1.0659                 1.0660                 1.0660
 Frc consts  --      9.0177                 9.0447                 9.0556
 IR Inten    --     59.1007                42.0883                62.4870
 RamAct Fr= 1--     94.3654                62.2224               152.6248
  Dep-P Fr= 1--      0.1492                 0.3155                 0.1448
  Dep-U Fr= 1--      0.2596                 0.4797                 0.2530
 Alpha2 Fr= 1--      1.4618                 0.6089                 2.3905
 Beta2  Fr= 1--      4.0837                 4.9747                 6.4359
 AlphaG Fr= 1--      0.4174                -0.3647                 0.9619
 Gamma2 Fr= 1--      7.4936               -14.9185                16.1765
 Delta2 Fr= 1--      0.8017                -5.6789                 5.7683
 Raman1 Fr= 1--     377.462                248.889                610.499
 ROA1   Fr= 1--     745.043              -1613.903               1737.529
 CID1   Fr= 1--       1.974                 -6.484                  2.846
 Raman2 Fr= 1--      49.004                 59.696                 77.231
 ROA2   Fr= 1--     173.433               -312.613                342.090
 CID2   Fr= 1--       3.539                 -5.237                  4.429
 Raman3 Fr= 1--      98.008                119.393                154.461
 ROA3   Fr= 1--     745.043              -1613.903               1737.529
 CID3   Fr= 1--       7.602                -13.518                 11.249
 RC180  Fr= 1--      -0.481                 -0.041                 -0.494
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     5   8    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     7   8    -0.06   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     9   8     0.00   0.00  -0.00    -0.03  -0.05   0.02    -0.01  -0.01   0.01
    10   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    11   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   8    -0.00   0.01   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    15   8     0.00  -0.00  -0.00    -0.00   0.01   0.01     0.02  -0.05  -0.03
    16   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   1     0.97  -0.09   0.07     0.07  -0.01   0.01     0.01  -0.00   0.00
    18   1    -0.04  -0.06   0.02     0.49   0.76  -0.29     0.15   0.24  -0.09
    19   1     0.07  -0.15  -0.06    -0.00   0.00   0.00     0.00  -0.01  -0.00
    20   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    22   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    23   1    -0.00   0.01   0.01     0.08  -0.24  -0.15    -0.26   0.77   0.49
    24   1     0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  8 and mass  15.99491
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  8 and mass  15.99491
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  8 and mass  15.99491
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Molecular mass:   180.06339 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1539.979562209.021433379.13667
           X            0.99996  -0.00748  -0.00581
           Y            0.00752   0.99995   0.00600
           Z            0.00577  -0.00604   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.05624     0.03921     0.02563
 Rotational constants (GHZ):           1.17193     0.81699     0.53408
 Zero-point vibrational energy     516772.4 (Joules/Mol)
                                  123.51156 (Kcal/Mol)
 Warning -- explicit consideration of  21 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    102.16   132.30   170.74   202.28   332.83
          (Kelvin)            347.77   364.26   384.48   410.92   431.66
                              480.43   529.00   548.02   554.41   584.99
                              605.18   614.75   655.61   744.67   817.07
                              853.52   907.17  1034.89  1309.83  1327.23
                             1459.46  1473.01  1495.11  1531.74  1546.74
                             1561.27  1583.52  1600.10  1612.98  1622.41
                             1660.65  1735.24  1784.70  1792.72  1800.02
                             1811.43  1908.44  1917.84  1937.17  1947.16
                             1964.48  1990.76  2005.02  2046.01  2055.44
                             2073.36  2081.64  2103.57  2155.99  4245.24
                             4287.68  4295.61  4324.13  4342.27  4362.59
                             4483.24  5436.99  5449.47  5452.09  5460.03
                             5463.35
 
 Zero-point correction=                           0.196828 (Hartree/Particle)
 Thermal correction to Energy=                    0.209257
 Thermal correction to Enthalpy=                  0.210202
 Thermal correction to Gibbs Free Energy=         0.159173
 Sum of electronic and zero-point Energies=           -687.313648
 Sum of electronic and thermal Energies=              -687.301219
 Sum of electronic and thermal Enthalpies=            -687.300275
 Sum of electronic and thermal Free Energies=         -687.351304
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  131.311             47.599            107.399
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.471
 Rotational               0.889              2.981             30.820
 Vibrational            129.534             41.637             35.108
 Vibration     1          0.598              1.968              4.125
 Vibration     2          0.602              1.955              3.618
 Vibration     3          0.609              1.934              3.122
 Vibration     4          0.615              1.913              2.796
 Vibration     5          0.653              1.793              1.869
 Vibration     6          0.658              1.776              1.790
 Vibration     7          0.664              1.757              1.708
 Vibration     8          0.672              1.733              1.614
 Vibration     9          0.683              1.700              1.500
 Vibration    10          0.693              1.674              1.417
 Vibration    11          0.715              1.608              1.241
 Vibration    12          0.740              1.539              1.089
 Vibration    13          0.751              1.511              1.036
 Vibration    14          0.754              1.501              1.018
 Vibration    15          0.771              1.456              0.939
 Vibration    16          0.783              1.425              0.890
 Vibration    17          0.789              1.411              0.868
 Vibration    18          0.814              1.348              0.779
 Vibration    19          0.873              1.211              0.616
 Vibration    20          0.924              1.101              0.508
 Vibration    21          0.951              1.046              0.461
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.610517D-73        -73.214302       -168.582161
 Total V=0       0.209075D+18         17.320303         39.881472
 Vib (Bot)       0.529663D-87        -87.276000       -200.960417
 Vib (Bot)    1  0.290413D+01          0.463017          1.066135
 Vib (Bot)    2  0.223513D+01          0.349303          0.804301
 Vib (Bot)    3  0.172254D+01          0.236169          0.543800
 Vib (Bot)    4  0.144603D+01          0.160176          0.368818
 Vib (Bot)    5  0.850913D+00         -0.070115         -0.161445
 Vib (Bot)    6  0.810569D+00         -0.091210         -0.210019
 Vib (Bot)    7  0.769738D+00         -0.113657         -0.261705
 Vib (Bot)    8  0.724230D+00         -0.140124         -0.322647
 Vib (Bot)    9  0.671164D+00         -0.173171         -0.398741
 Vib (Bot)   10  0.633872D+00         -0.197998         -0.455908
 Vib (Bot)   11  0.558214D+00         -0.253199         -0.583012
 Vib (Bot)   12  0.495954D+00         -0.304559         -0.701272
 Vib (Bot)   13  0.474394D+00         -0.323861         -0.745717
 Vib (Bot)   14  0.467460D+00         -0.330255         -0.760441
 Vib (Bot)   15  0.436244D+00         -0.360270         -0.829553
 Vib (Bot)   16  0.417253D+00         -0.379601         -0.874063
 Vib (Bot)   17  0.408662D+00         -0.388635         -0.894866
 Vib (Bot)   18  0.374603D+00         -0.426429         -0.981890
 Vib (Bot)   19  0.312561D+00         -0.505065         -1.162956
 Vib (Bot)   20  0.271577D+00         -0.566107         -1.303509
 Vib (Bot)   21  0.253457D+00         -0.596095         -1.372560
 Vib (V=0)       0.181387D+04          3.258605          7.503216
 Vib (V=0)    1  0.344686D+01          0.537424          1.237464
 Vib (V=0)    2  0.279038D+01          0.445663          1.026176
 Vib (V=0)    3  0.229364D+01          0.360525          0.830140
 Vib (V=0)    4  0.203003D+01          0.307502          0.708050
 Vib (V=0)    5  0.148694D+01          0.172294          0.396721
 Vib (V=0)    6  0.145238D+01          0.162079          0.373202
 Vib (V=0)    7  0.141788D+01          0.151638          0.349160
 Vib (V=0)    8  0.138006D+01          0.139899          0.322128
 Vib (V=0)    9  0.133694D+01          0.126111          0.290380
 Vib (V=0)   10  0.130734D+01          0.116388          0.267993
 Vib (V=0)   11  0.124940D+01          0.096702          0.222665
 Vib (V=0)   12  0.120425D+01          0.080717          0.185858
 Vib (V=0)   13  0.118924D+01          0.075269          0.173313
 Vib (V=0)   14  0.118448D+01          0.073529          0.169308
 Vib (V=0)   15  0.116356D+01          0.065788          0.151482
 Vib (V=0)   16  0.115123D+01          0.061162          0.140831
 Vib (V=0)   17  0.114576D+01          0.059093          0.136067
 Vib (V=0)   18  0.112476D+01          0.051060          0.117571
 Vib (V=0)   19  0.108966D+01          0.037289          0.085862
 Vib (V=0)   20  0.106899D+01          0.028975          0.066718
 Vib (V=0)   21  0.106057D+01          0.025540          0.058808
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.949712D+08          7.977592         18.369084
 Rotational      0.121368D+07          6.084106         14.009172
 
                                                          ROA calculations.
                                                             IR Spectrum
 
  33333                     3333222                                    11111111111111111111111111111                                 
  77777                     1000999                                    44444433333332222211111000000 99    7655544443333322222 11    
  99887                     1310885                                    96442298654325544052210876321 21    1396152208863086543 4197  
  75989                     6285601                                    82719244536369160648121555944 20    9138867175184067321 1921  
 
  XXXXX                     XXXXXXX                                    XXXXXXXXXXXXXXXXXXXXXXXXXXXXX XX    XXXXXXXXXXXXXXXXXXX XXXX  
  XXXXX                      X XX X                                      X XX X XXXXXXXX XXXXXXXXXXX  X     XX XXXXXXXXX X   X       
  XXXXX                      X XX X                                      X  X   XXXX XXX XXXXXXX XXX  X     XX X  XXXXXX X           
  XXXXX                      X X  X                                             XXX  X X XXXXXXX XXX  X     X  X  XXXXXX X           
  XXXX                       X X                                                X X    X  XXXXXX  XX              XXXXX  X           
  X X                        X X                                                X      X   XXXXX  XX              XXXXX  X           
  X X                        X X                                                            XXXX   X               XXXX  X           
                             X X                                                            XXXX   X               XXXX  X           
                               X                                                            XXXX   X               XX X              
                                                                                            XXXX   X               XX X              
                                                                                             XXX   X               XX X              
                                                                                             XXX   X               XX                
                                                                                             XXX                   XX                
                                                                                             XXX                   XX                
                                                                                             XXX                    X                
                                                                                             XXX                    X                
                                                                                             XXX                    X                
                                                                                             XXX                                     
                                                                                             X                                       
                                                                                             X                                       
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000000427   -0.000005974    0.000000246
      2        6           0.000001435    0.000003347    0.000001922
      3        6          -0.000002315   -0.000004778    0.000000377
      4        6          -0.000007077   -0.000005660    0.000000684
      5        8          -0.000003232    0.000004797    0.000002187
      6        6           0.000003325   -0.000001816    0.000002587
      7        8          -0.000000317    0.000006191    0.000000845
      8        1           0.000000967    0.000000416   -0.000000981
      9        8          -0.000001308    0.000004477   -0.000001316
     10        1          -0.000000313   -0.000000594   -0.000000112
     11        1          -0.000000451    0.000000481   -0.000000593
     12        8           0.000000582    0.000003043   -0.000001642
     13        6           0.000001067   -0.000003272    0.000006309
     14        1           0.000002480    0.000001814   -0.000001785
     15        8           0.000001273   -0.000002177   -0.000002997
     16        1           0.000000990   -0.000000729   -0.000000884
     17        1          -0.000001005   -0.000000969   -0.000000086
     18        1           0.000003652   -0.000000538   -0.000000953
     19        1           0.000001521   -0.000000267    0.000001483
     20        8          -0.000003878    0.000005937   -0.000003553
     21        1           0.000000870   -0.000000787    0.000003993
     22        1          -0.000002182   -0.000000231   -0.000000667
     23        1           0.000000034   -0.000002845   -0.000000498
     24        1           0.000004310    0.000000136   -0.000004564
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000007077 RMS     0.000002732
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.112900D+03  0.108248D+01 -0.167683D+01
      2   0.108248D+01  0.105545D+03  0.136336D+00
      3  -0.167683D+01  0.136336D+00  0.888082D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.185698D+01 -0.864359D+01 -0.152856D+01
      2   0.124942D+02 -0.336567D+01  0.138774D+02
      3   0.255600D+01 -0.685103D+01  0.168523D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.206233D+02 -0.145706D+02  0.133459D+02
      2  -0.226578D+02  0.121702D+02  0.884771D+01
      3   0.203454D+01  0.240038D+01 -0.221936D+02
      4  -0.155563D+02 -0.103871D+02 -0.111152D+02
      5  -0.873027D+01 -0.101638D+02  0.279262D+02
      6  -0.834209D+01 -0.109719D+02 -0.484851D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.318341D+01  0.375318D+00  0.172934D+00 -0.408760D+00  0.246646D+01
      2   0.375318D+00  0.316812D+01  0.231576D+00  0.246646D+01 -0.141899D+01
      3   0.172934D+00  0.231576D+00  0.104579D+01  0.518782D+00 -0.118101D+01
                 6             7             8             9            10 
      1   0.518782D+00 -0.163166D+00  0.436917D+00  0.129080D+01  0.426009D+01
      2  -0.118101D+01  0.436917D+00 -0.242959D+01 -0.112415D+01 -0.655246D+00
      3  -0.429901D+00  0.129080D+01 -0.112415D+01  0.792055D+01 -0.794403D-01
                11            12            13            14            15 
      1  -0.655246D+00 -0.794403D-01 -0.739038D+00 -0.254149D+01 -0.179235D+00
      2  -0.223137D+01 -0.619226D-01 -0.254149D+01 -0.394306D+00  0.704686D+00
      3  -0.619226D-01 -0.249142D+01 -0.179235D+00  0.704686D+00  0.159839D+01
                16            17            18            19            20 
      1   0.846913D+00 -0.405950D+00 -0.168986D+01  0.259767D+01 -0.274416D+00
      2  -0.405950D+00  0.144531D+01  0.959637D+00 -0.274416D+00 -0.271359D+01
      3  -0.168986D+01  0.959637D+00 -0.745578D+01 -0.614667D-01  0.424383D+00
                21            22            23            24            25 
      1  -0.614667D-01 -0.860548D+00 -0.333928D+01  0.151789D+00  0.543479D+00
      2   0.424383D+00 -0.333928D+01  0.686893D+00  0.131617D+01  0.648376D+00
      3  -0.956431D+00  0.151789D+00  0.131617D+01  0.136347D+01 -0.137207D+01
                26            27            28            29            30 
      1   0.648376D+00 -0.137207D+01 -0.113745D+01  0.196762D+01 -0.573485D+00
      2   0.194600D+01  0.117607D+01  0.196762D+01  0.256031D+01 -0.117990D+00
      3   0.117607D+01 -0.718298D+01 -0.573485D+00 -0.117990D+00  0.304103D+00
                31            32            33            34            35 
      1   0.239654D+01  0.342430D+01  0.791578D+00 -0.183757D+01  0.427160D+00
      2   0.342430D+01 -0.103013D+01 -0.157390D+01  0.427160D+00 -0.203262D+01
      3   0.791578D+00 -0.157390D+01 -0.171802D+01  0.382559D+00 -0.735085D+00
                36            37            38            39            40 
      1   0.382559D+00  0.500162D+01 -0.157277D+01 -0.278924D+00 -0.328789D+01
      2  -0.735085D+00 -0.157277D+01  0.790495D-01 -0.337316D+00 -0.910066D+00
      3   0.710779D+01 -0.278924D+00 -0.337316D+00 -0.454940D+00 -0.308104D+00
                41            42            43            44            45 
      1  -0.910066D+00 -0.308104D+00  0.225732D+01  0.450842D+00  0.159591D+00
      2  -0.354926D+01  0.643005D+00  0.450842D+00  0.141835D+01 -0.338927D+00
      3   0.643005D+00  0.837996D+00  0.159591D+00 -0.338927D+00 -0.109052D+01
                46            47            48            49            50 
      1  -0.457053D+01 -0.703628D+00  0.364914D+00  0.115604D+01  0.240525D+01
      2  -0.703628D+00  0.783125D+00  0.460439D+00  0.240525D+01 -0.877466D+00
      3   0.364914D+00  0.460439D+00  0.159391D+01 -0.191077D+00 -0.940792D+00
                51            52            53            54            55 
      1  -0.191077D+00 -0.762381D+00 -0.331710D-01  0.164811D+01  0.499738D+01
      2  -0.940792D+00 -0.331710D-01 -0.166520D+01 -0.964531D+00 -0.908647D-01
      3  -0.221406D+01  0.164811D+01 -0.964531D+00  0.761847D+01  0.404103D+00
                56            57            58            59            60 
      1  -0.908647D-01  0.404103D+00  0.894719D+00 -0.139589D+01 -0.344017D+00
      2   0.668559D+00  0.290703D+00 -0.139589D+01  0.661378D+01  0.164959D+01
      3   0.290703D+00  0.664616D+00 -0.344017D+00  0.164959D+01  0.255059D+00
                61            62            63            64            65 
      1   0.132863D+01 -0.773315D+00 -0.661696D+00 -0.154350D+00  0.608054D-01
      2  -0.773315D+00  0.290832D+01  0.172383D+01  0.608054D-01 -0.883400D+00
      3  -0.661696D+00  0.172383D+01  0.572537D+00 -0.108570D+01  0.111902D+00
                66            67            68            69            70 
      1  -0.108570D+01  0.214745D+00 -0.712409D+00  0.102242D+00 -0.205603D+01
      2   0.111902D+00 -0.712409D+00  0.741169D+00 -0.997639D+00  0.324565D+00
      3  -0.818063D+00  0.102242D+00 -0.997639D+00  0.669366D+00 -0.967568D+00
                71            72            73            74            75 
      1   0.324565D+00 -0.967568D+00 -0.651119D+01  0.218377D+01 -0.994828D-01
      2  -0.187989D+01  0.949077D+00  0.218377D+01  0.806253D+00 -0.547235D+00
      3   0.949077D+00 -0.703872D+01 -0.994828D-01 -0.547235D+00  0.764817D+00
                76            77            78            79            80 
      1   0.498317D+01  0.473540D+00 -0.610886D+00 -0.249897D+01 -0.582879D+00
      2   0.473540D+00  0.356643D+01 -0.882376D+00 -0.582879D+00 -0.143349D+01
      3  -0.610886D+00 -0.882376D+00  0.782568D+00 -0.716398D+00  0.319997D+00
                81            82            83            84            85 
      1  -0.716398D+00 -0.481759D-01  0.231822D-01  0.107494D+01 -0.184129D+00
      2   0.319997D+00  0.231822D-01  0.602990D+00 -0.229896D-01  0.559007D+00
      3   0.294887D-01  0.107494D+01 -0.229896D-01  0.806283D+00 -0.407934D-01
                86            87            88            89            90 
      1   0.559007D+00 -0.407934D-01  0.202250D+01  0.114008D+00  0.956904D-01
      2  -0.504779D+00  0.858295D+00  0.114008D+00  0.157378D+01 -0.648527D+00
      3   0.858295D+00 -0.908144D+00  0.956904D-01 -0.648527D+00  0.740875D+01
                91            92            93            94            95 
      1   0.452129D+00 -0.209442D+00  0.107805D+01 -0.504340D-01  0.924007D+00
      2  -0.209442D+00  0.992004D+00  0.122065D-01  0.924007D+00 -0.307404D+00
      3   0.107805D+01  0.122065D-01  0.683536D+00  0.557365D-01  0.813815D+00
                96            97            98            99           100 
      1   0.557365D-01  0.220053D+01 -0.208057D+00  0.108882D+01  0.390664D+01
      2   0.813815D+00 -0.208057D+00  0.176955D+01 -0.581860D-01  0.187137D+01
      3  -0.107130D+00  0.108882D+01 -0.581860D-01  0.655908D+01 -0.106891D+01
               101           102           103           104           105 
      1   0.187137D+01 -0.106891D+01  0.796297D+00  0.333256D+01 -0.122867D-01
      2   0.421745D+01 -0.689214D-01  0.333256D+01 -0.769651D+00 -0.163785D+01
      3  -0.689214D-01  0.762378D+00 -0.122867D-01 -0.163785D+01 -0.933599D+00
               106           107           108           109           110 
      1  -0.178557D+01 -0.617296D+00  0.132935D+01  0.217348D+01 -0.197941D+01
      2  -0.617296D+00 -0.350373D+01  0.657146D+00 -0.197941D+01 -0.234596D+01
      3   0.132935D+01  0.657146D+00 -0.538092D+00  0.149462D+01 -0.250268D+00
               111           112           113           114           115 
      1   0.149462D+01 -0.164814D+01 -0.398844D+01 -0.665359D+00  0.260998D+01
      2  -0.250268D+00 -0.398844D+01  0.985421D+00  0.366707D+01 -0.735054D+00
      3  -0.721578D+00 -0.665359D+00  0.366707D+01  0.207533D+01 -0.312378D+01
               116           117           118           119           120 
      1  -0.735054D+00 -0.312378D+01  0.364543D+00 -0.164769D+00 -0.133735D+01
      2   0.352802D+01  0.258877D+01 -0.164769D+00 -0.442578D+00  0.665933D-01
      3   0.258877D+01 -0.329396D+00 -0.133735D+01  0.665933D-01 -0.237082D+00
               121           122           123           124           125 
      1  -0.100885D+00 -0.383533D+00 -0.229237D+00 -0.209845D+01 -0.252616D+00
      2  -0.383533D+00  0.625741D+00 -0.103346D+01 -0.252616D+00 -0.144958D+01
      3  -0.229237D+00 -0.103346D+01  0.540299D+00  0.520998D+00  0.389524D+00
               126           127           128           129           130 
      1   0.520998D+00 -0.263218D+01 -0.184818D+01  0.849147D+00 -0.143693D+01
      2   0.389524D+00 -0.184818D+01 -0.333296D+01 -0.206189D+00 -0.235963D+01
      3  -0.832527D+01  0.849147D+00 -0.206189D+00 -0.457029D+00 -0.122499D+00
               131           132           133           134           135 
      1  -0.235963D+01 -0.122499D+00  0.207940D+01  0.601465D+00 -0.105029D+01
      2   0.193845D+01  0.230018D+01  0.601465D+00  0.514685D+01 -0.813039D-01
      3   0.230018D+01  0.116769D+01 -0.105029D+01 -0.813039D-01  0.104360D+01
               136           137           138           139           140 
      1  -0.443545D+00 -0.434120D-01 -0.135460D+01  0.646415D-01 -0.601075D+00
      2  -0.434120D-01 -0.355806D+00 -0.291964D+00 -0.601075D+00  0.102211D+00
      3  -0.135460D+01 -0.291964D+00 -0.899466D+00  0.854748D-01 -0.892782D+00
               141           142           143           144           145 
      1   0.854748D-01 -0.248779D+01 -0.550586D+00 -0.147182D+01 -0.724025D+01
      2  -0.892782D+00 -0.550586D+00 -0.159775D+01 -0.410671D+00  0.267138D+01
      3   0.485195D+00 -0.147182D+01 -0.410671D+00 -0.769637D+01  0.622398D+00
               146           147           148           149           150 
      1   0.267138D+01  0.622398D+00  0.146607D+01 -0.122093D+01 -0.136384D+00
      2  -0.314822D+01 -0.548930D+00 -0.122093D+01  0.130602D+01 -0.889742D-02
      3  -0.548930D+00 -0.132318D+01 -0.136384D+00 -0.889742D-02  0.472038D+00
               151           152           153           154           155 
      1  -0.125878D+00 -0.171736D-01 -0.655198D+00 -0.491669D+01 -0.217582D+01
      2  -0.171736D-01 -0.182150D+00  0.547837D+00 -0.217582D+01 -0.214878D+01
      3  -0.655198D+00  0.547837D+00  0.468512D+00  0.674657D+00  0.418357D+00
               156           157           158           159           160 
      1   0.674657D+00 -0.437910D+01 -0.240816D+01  0.612329D+00  0.154834D+01
      2   0.418357D+00 -0.240816D+01 -0.318083D+01  0.641662D+00  0.781644D+00
      3  -0.112321D+01  0.612329D+00  0.641662D+00 -0.987721D+00 -0.115176D+01
               161           162           163           164           165 
      1   0.781644D+00 -0.115176D+01 -0.683900D+00  0.639512D+00  0.331127D+00
      2   0.104709D+01 -0.532428D+00  0.639512D+00 -0.179623D+01 -0.745064D-01
      3  -0.532428D+00  0.547383D+00  0.331127D+00 -0.745064D-01 -0.319269D+00
               166           167           168           169           170 
      1   0.163377D+01  0.416417D-02 -0.173706D+00  0.697856D+00 -0.156848D-01
      2   0.416417D-02  0.781682D+01  0.693243D+00 -0.156848D-01  0.192495D+01
      3  -0.173706D+00  0.693243D+00  0.144334D+01 -0.265342D-01  0.103523D+01
               171           172           173           174           175 
      1  -0.265342D-01  0.366241D+01  0.711561D+00  0.163684D+01  0.183576D+01
      2   0.103523D+01  0.711561D+00  0.195864D+01 -0.975085D+00  0.182165D+01
      3   0.235291D+00  0.163684D+01 -0.975085D+00  0.224938D+01 -0.453981D+00
               176           177           178           179           180 
      1   0.182165D+01 -0.453981D+00  0.150474D+01 -0.756742D+00  0.339100D+01
      2   0.156976D+01  0.117260D+00 -0.756742D+00 -0.424216D+00 -0.897475D+00
      3   0.117260D+00  0.126492D+01  0.339100D+01 -0.897475D+00  0.335181D+01
               181           182           183           184           185 
      1   0.427338D+01  0.218626D+01 -0.108542D+01  0.397668D+01  0.226439D+01
      2   0.218626D+01  0.188977D+01 -0.354143D+00  0.226439D+01  0.335568D+01
      3  -0.108542D+01 -0.354143D+00  0.111605D+01 -0.592147D+00 -0.129759D+01
               186           187           188           189           190 
      1  -0.592147D+00 -0.148810D+01 -0.354693D+00  0.138806D+01  0.208406D+01
      2  -0.129759D+01 -0.354693D+00 -0.105608D+01  0.729009D+00 -0.141335D+01
      3   0.112713D+01  0.138806D+01  0.729009D+00 -0.800166D+00 -0.152488D+01
               191           192           193           194           195 
      1  -0.141335D+01 -0.152488D+01 -0.290175D+01  0.306144D+01  0.138338D+01
      2   0.144414D+01  0.649291D+00  0.306144D+01 -0.502292D+01 -0.278397D+01
      3   0.649291D+00  0.105230D+01  0.138338D+01 -0.278397D+01 -0.311481D+01
               196           197           198           199           200 
      1  -0.233145D+01  0.132555D+01  0.190232D+01 -0.177680D+00 -0.715735D+00
      2   0.132555D+01 -0.248361D+01 -0.245144D+01 -0.715735D+00  0.179470D+01
      3   0.190232D+01 -0.245144D+01 -0.347466D+01 -0.306636D+00  0.357345D+00
               201           202           203           204           205 
      1  -0.306636D+00 -0.128309D+01 -0.233822D+00  0.127168D+00 -0.757261D+00
      2   0.357345D+00 -0.233822D+00 -0.924447D+01 -0.170993D+01 -0.104891D+00
      3   0.272937D+00  0.127168D+00 -0.170993D+01 -0.167808D+01 -0.281073D-01
               206           207           208           209           210 
      1  -0.104891D+00 -0.281073D-01 -0.207405D+01 -0.843726D+00  0.152563D+00
      2  -0.403861D+01 -0.184866D+01 -0.843726D+00 -0.156622D+01  0.834664D+00
      3  -0.184866D+01 -0.104091D+01  0.152563D+00  0.834664D+00 -0.151442D+01
               211           212           213           214           215 
      1  -0.213775D+01 -0.642045D+00  0.231229D+00  0.752939D+00  0.297585D+00
      2  -0.642045D+00 -0.300817D+01  0.153521D+01  0.297585D+00  0.146830D+01
      3   0.231229D+00  0.153521D+01 -0.199133D+01 -0.282202D+00 -0.984731D+00
               216 
      1  -0.282202D+00
      2  -0.984731D+00
      3   0.210960D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.188688D-01  0.108384D+00 -0.234184D+01 -0.743725D+00  0.157015D+00
      2  -0.275147D+00  0.291032D-01 -0.353849D+00  0.576992D+00  0.148300D+01
      3  -0.158316D+01 -0.551196D+00 -0.224443D+00  0.398898D+01  0.115312D+01
                 6             7             8             9            10 
      1   0.145007D+01 -0.108945D+01  0.375189D+01 -0.705715D+01 -0.581722D+00
      2   0.131564D+01 -0.350030D+01  0.244881D+00 -0.517567D+01 -0.150088D+01
      3  -0.141643D+00  0.311762D+00 -0.172982D+01  0.424449D+00 -0.177047D+01
                11            12            13            14            15 
      1  -0.108234D+01 -0.545945D+00  0.327598D+00  0.262088D+00 -0.179994D+01
      2  -0.938222D+00  0.217964D+01 -0.236486D+00 -0.135061D+01 -0.272149D+01
      3  -0.459879D+01  0.143283D+00  0.546733D+00  0.490293D+00  0.136766D+01
                16            17            18            19            20 
      1  -0.104348D+01  0.383764D+01 -0.145527D+01  0.167802D+00 -0.350009D+00
      2  -0.794322D+00 -0.143030D+01  0.102565D+02 -0.468220D+00  0.745660D+00
      3  -0.636937D+00  0.211095D+01  0.207553D+01  0.225892D+01 -0.953176D+00
                21            22            23            24            25 
      1   0.280051D+01 -0.117574D+00 -0.163841D+01 -0.170071D+01  0.233866D+01
      2   0.931114D+00 -0.106411D+01  0.590275D+00 -0.652147D+00 -0.436673D+01
      3  -0.429782D+00  0.407757D+01 -0.425678D+01 -0.222463D+01 -0.111492D+00
                26            27            28            29            30 
      1   0.161446D+01  0.598353D+01 -0.207041D+01 -0.704459D+00  0.110505D+01
      2   0.608312D+00 -0.316303D+01 -0.632117D+01  0.348740D+01 -0.117583D+01
      3  -0.807559D+00 -0.258680D+01 -0.654156D+01 -0.833932D+01 -0.590147D+00
                31            32            33            34            35 
      1  -0.729663D+00  0.374053D+00  0.230013D+01  0.249829D+00  0.378906D+01
      2   0.226166D+01 -0.105909D+01 -0.371411D+01 -0.482749D+01  0.203404D+00
      3  -0.495285D+01  0.115057D+01  0.310094D+01  0.167984D+00  0.260853D+01
                36            37            38            39            40 
      1  -0.718864D+00  0.134201D+01  0.172735D+00 -0.164919D+01  0.129169D+01
      2   0.110187D+02  0.344228D+01 -0.683789D+00  0.963138D+01 -0.204850D+01
      3   0.181169D+01 -0.747537D+01 -0.432567D+01  0.235757D+00  0.146790D+02
                41            42            43            44            45 
      1   0.224463D+01 -0.605632D+01  0.191286D+01  0.260970D+01  0.730455D+00
      2  -0.126959D+01  0.174441D+01 -0.493024D+01 -0.118656D+01  0.110646D+00
      3   0.512028D+01 -0.152206D+00 -0.253607D+01 -0.125485D+01 -0.353808D+00
                46            47            48            49            50 
      1   0.936796D+00 -0.124319D+01  0.231802D+01 -0.692159D+00 -0.251712D+01
      2  -0.319946D+01 -0.144473D+01 -0.616202D+01  0.797154D-02  0.227770D+01
      3   0.524978D+01  0.388086D+01 -0.387094D+00  0.208797D+01 -0.106507D+01
                51            52            53            54            55 
      1  -0.382898D+00  0.186396D+00  0.842864D+00  0.796288D+01 -0.793353D+00
      2   0.161274D+01 -0.625988D+01 -0.536060D+00 -0.925192D+01 -0.558615D+01
      3  -0.186074D+01  0.803543D+00 -0.113410D+01 -0.316551D+01  0.165602D+02
                56            57            58            59            60 
      1   0.379425D+00 -0.751664D+00  0.166530D+01 -0.195241D+01 -0.655285D+01
      2   0.225264D+01  0.168270D+01  0.427950D+00 -0.229786D+01 -0.180947D+01
      3  -0.259735D+01 -0.166670D+00  0.583113D+01  0.644162D+01  0.719854D+00
                61            62            63            64            65 
      1   0.623056D+00  0.128087D+01 -0.285176D+01  0.106764D+01  0.368338D+00
      2  -0.357772D+01 -0.138650D+01 -0.129671D+01  0.972985D+00 -0.440133D+00
      3   0.332360D+01  0.295295D+01  0.821006D+00 -0.808296D-01 -0.176855D+01
                66            67            68            69            70 
      1   0.716114D+00  0.633663D-01  0.134767D+01 -0.124630D+01  0.751604D+00
      2   0.183741D+01 -0.202217D-02  0.400779D+00 -0.205412D+00 -0.332741D+01
      3  -0.920833D+00  0.851941D+00 -0.276716D+00 -0.746886D+00 -0.270191D+01
                71            72            73            74            75 
      1   0.354468D+01  0.858790D+01  0.613633D+00 -0.197186D+00  0.549758D+00
      2  -0.339985D+00  0.615149D+01  0.410095D+01  0.225503D+01  0.485244D+01
      3  -0.176945D+01 -0.150725D+00  0.924241D+01 -0.269156D+01 -0.239327D+01
                76            77            78            79            80 
      1  -0.126201D+01  0.109323D+01 -0.183525D+01  0.858926D+00  0.278737D+01
      2   0.186638D+01  0.261955D+01 -0.370549D+01 -0.229298D+01 -0.135439D+01
      3   0.739718D+01  0.160436D+02 -0.262223D+01 -0.202264D+01 -0.576653D+01
                81            82            83            84            85 
      1   0.527133D-02  0.217346D+00  0.925682D+00  0.268636D+00  0.601492D+00
      2   0.213916D+01 -0.287761D+01  0.131000D+00 -0.995870D+00  0.598250D+00
      3   0.100134D+01 -0.496770D-02 -0.781173D-01 -0.246257D+00  0.177084D+01
                86            87            88            89            90 
      1  -0.320607D+00 -0.144728D+01  0.214059D+00  0.365802D+01  0.940338D+00
      2  -0.149472D+01  0.130179D+01 -0.471797D+01  0.751947D+00 -0.108992D+02
      3  -0.681291D+00  0.119783D+01 -0.448527D+00  0.219555D+01 -0.545189D+00
                91            92            93            94            95 
      1  -0.176422D+01  0.858896D+00 -0.101072D+01  0.417479D+00 -0.141860D+01
      2   0.175005D+00  0.648770D+00  0.548542D+00  0.108917D+01 -0.649578D-01
      3   0.117499D+01 -0.199754D+01  0.116845D+01  0.272306D+00  0.849196D+00
                96            97            98            99           100 
      1  -0.226752D+00 -0.180293D+01  0.404363D+01 -0.714391D+01  0.194359D+01
      2   0.188985D+00 -0.377399D+01  0.373742D+00  0.371950D+01 -0.137023D+00
      3  -0.488807D+00  0.256744D+01 -0.186982D+01  0.116015D+01  0.813302D+01
               101           102           103           104           105 
      1  -0.192158D+01 -0.394522D+01 -0.759281D+00  0.675449D+01 -0.150012D+01
      2  -0.313310D+00  0.471514D+01  0.981201D+00 -0.103081D+01  0.110837D+01
      3  -0.972151D+01 -0.214074D+01 -0.454576D-01  0.947309D+01  0.285726D+01
               106           107           108           109           110 
      1  -0.231854D+01  0.490286D+01  0.326846D+01  0.307411D+01  0.121364D+01
      2  -0.151206D+01  0.607502D+00 -0.136553D+01  0.900354D+01 -0.351603D+01
      3  -0.512625D+01  0.493282D+01  0.184273D+01  0.637161D+01  0.734135D+01
               111           112           113           114           115 
      1  -0.101609D+01  0.141582D+01  0.158169D+01 -0.360112D+01 -0.106837D+01
      2   0.115201D+01 -0.413039D+01  0.844927D+01  0.644339D+01 -0.769397D+01
      3  -0.846204D-01  0.171583D+02 -0.624399D+00 -0.956506D+01  0.573357D+00
               116           117           118           119           120 
      1  -0.279349D+01 -0.216510D+01  0.439046D-01  0.107209D+01  0.397724D+00
      2   0.656247D+01 -0.350972D+01 -0.238167D+01 -0.285404D+00  0.827967D-02
      3  -0.913492D+01 -0.571894D+01  0.296172D+00  0.488848D-01  0.264337D+00
               121           122           123           124           125 
      1   0.280247D+00 -0.150309D+01 -0.169547D+00  0.176466D+00  0.469242D+01
      2  -0.284544D-01 -0.203443D+01  0.798277D+00 -0.572360D+01  0.419326D+00
      3   0.231878D+01 -0.163571D+01  0.161004D+01  0.621706D+00  0.238241D+01
               126           127           128           129           130 
      1  -0.889827D+00  0.131095D+01 -0.321878D+00 -0.349375D+01  0.754049D+00
      2  -0.118463D+02 -0.240196D+01 -0.205983D+00  0.456426D+01  0.471120D+00
      3  -0.167810D+01  0.561153D+01 -0.710237D+01 -0.229428D+01  0.396208D+01
               131           132           133           134           135 
      1   0.109390D+02 -0.224292D+01 -0.151101D+01  0.560844D+01  0.534615D+01
      2  -0.398654D+01  0.485615D+00 -0.623532D+00  0.171146D+00 -0.253399D+01
      3   0.870592D+01  0.433001D+01 -0.600996D+01  0.819874D+01  0.280475D+01
               136           137           138           139           140 
      1  -0.183719D+01  0.187791D+00 -0.984773D+00  0.580491D+00 -0.168343D+01
      2   0.125040D+01  0.675467D+00  0.162948D+01  0.885441D+00  0.690808D+00
      3   0.946676D+00 -0.183910D+01  0.164845D+01 -0.465797D-01  0.159625D+01
               141           142           143           144           145 
      1   0.491473D+00 -0.693180D+00  0.523887D+01 -0.835019D+01 -0.271722D+00
      2  -0.107040D+01 -0.351559D+01 -0.211986D+00  0.926031D+01  0.457100D+01
      3  -0.983332D+00  0.326019D+01 -0.178724D+01  0.237419D+01 -0.182332D+02
               146           147           148           149           150 
      1  -0.454097D+00  0.332224D+01 -0.284129D-01  0.188908D+00 -0.866657D+00
      2  -0.108227D+01  0.300556D+01 -0.737119D+00  0.716595D+00 -0.785578D+00
      3  -0.644000D+00  0.781193D+00  0.194031D+01 -0.223867D+01 -0.683773D+00
               151           152           153           154           155 
      1   0.126220D+01 -0.265568D+00 -0.775160D+00  0.851543D-02  0.348188D-01
      2   0.359166D+00 -0.832858D+00 -0.418566D+00 -0.218166D+01 -0.150865D+01
      3  -0.853131D+00 -0.639342D+00 -0.503980D+00 -0.742633D+01 -0.827967D+01
               156           157           158           159           160 
      1  -0.783267D+00  0.437865D+00 -0.896824D+00 -0.102526D+01 -0.337397D+00
      2   0.391996D+01 -0.225014D+01 -0.231730D+01  0.408766D+01  0.227707D+01
      3   0.165155D+01 -0.690128D+01 -0.137449D+02  0.228954D+01  0.288019D+01
               161           162           163           164           165 
      1   0.847007D+00  0.389204D+00 -0.158297D+01  0.181306D+01  0.174714D+01
      2   0.162127D+01 -0.147303D+01  0.188877D+00 -0.950502D-02 -0.647597D+00
      3   0.416018D+01 -0.140519D+01 -0.513533D+01  0.465780D+01  0.175634D+01
               166           167           168           169           170 
      1   0.101470D+01 -0.655210D+01 -0.536758D+01  0.430842D+00 -0.286427D+01
      2  -0.269363D-02  0.681991D+00  0.132260D+01 -0.112067D+01  0.100733D+01
      3   0.660532D+01 -0.133143D+02 -0.209883D+01  0.316626D+01 -0.378923D+01
               171           172           173           174           175 
      1  -0.147880D+01  0.242064D+01  0.306805D+01  0.181541D+01  0.122620D+01
      2   0.371847D+00 -0.386133D+00 -0.540513D+01  0.117276D+02 -0.427499D+01
      3  -0.164680D+01 -0.775147D+01 -0.998832D+01  0.232979D+01 -0.611099D+01
               176           177           178           179           180 
      1   0.352933D+01 -0.361076D+01  0.351439D+00  0.474811D+01  0.478933D+01
      2  -0.195300D+01  0.377904D+01  0.405620D+01 -0.318903D+00  0.118802D+02
      3  -0.544348D+01  0.120375D+00  0.155156D+01  0.538298D+00 -0.446410D-01
               181           182           183           184           185 
      1  -0.203477D+01 -0.159790D+01 -0.362003D+00 -0.176423D+01 -0.316991D+01
      2  -0.681861D+00  0.113699D+00  0.388384D+01  0.115738D+01 -0.264126D+01
      3  -0.794196D+01 -0.808557D+01  0.168943D+01 -0.653902D+01 -0.137758D+02
               186           187           188           189           190 
      1   0.516554D-01  0.274745D+00  0.231694D+01 -0.648477D+00  0.130863D+00
      2   0.413726D+01  0.178907D+01  0.197438D+01 -0.125310D+01 -0.301518D+01
      3   0.431921D+01  0.139556D+01  0.381914D+01 -0.269939D+01  0.234075D+01
               191           192           193           194           195 
      1  -0.111206D+01  0.842445D+00 -0.134433D+01  0.314387D+01 -0.243513D+01
      2   0.126015D+01  0.278847D+01  0.892901D+00 -0.585144D+01 -0.929167D+01
      3  -0.462234D+01 -0.105189D+01 -0.403207D+01  0.130093D+02  0.692188D+01
               196           197           198           199           200 
      1   0.392270D+00  0.166155D+01 -0.158937D+01 -0.248718D+00  0.176912D+01
      2   0.181040D+01 -0.612927D+01 -0.905960D+01  0.773445D+00 -0.180075D+00
      3  -0.126210D+01  0.661144D+01  0.586938D+01 -0.222789D+01  0.359819D+01
               201           202           203           204           205 
      1   0.169184D+01  0.341431D+00 -0.709796D+01 -0.619074D+01  0.179252D+00
      2  -0.209495D+00 -0.688667D+00  0.243537D+01  0.218640D+01 -0.101460D+01
      3   0.131729D+01  0.460070D+01 -0.150674D+02 -0.353862D+01  0.263035D+01
               206           207           208           209           210 
      1  -0.524995D+01 -0.325058D+01 -0.207386D+01 -0.298733D+01 -0.690430D+00
      2   0.240753D+01  0.126766D+01  0.609747D+01  0.448211D+01 -0.510922D+01
      3  -0.669824D+01 -0.316511D+01  0.744464D+01  0.588352D+01 -0.212492D+01
               211           212           213           214           215 
      1  -0.213818D+01 -0.293332D+01 -0.439094D+00  0.203572D+00  0.217044D+01
      2   0.424716D+01  0.700627D+01 -0.655642D+01 -0.316928D+01 -0.376756D+01
      3   0.698950D+01  0.863233D+01 -0.456625D+01 -0.154450D+01 -0.412992D+01
               216 
      1   0.440027D+00
      2   0.590869D+01
      3   0.347897D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.556461D+01 -0.601543D+01 -0.859526D+00 -0.293334D+01  0.512706D+01
      2  -0.234770D+01  0.923969D+01  0.322733D+00  0.538330D+01 -0.126256D+02
      3  -0.321691D+01 -0.322427D+01  0.536793D+00 -0.244996D+01  0.749857D+01
      4  -0.133068D+01 -0.508347D+01  0.184517D+00 -0.925760D+01  0.735898D+01
      5   0.113693D+01 -0.152018D+01 -0.328687D+01 -0.355492D+01  0.889029D+00
      6   0.176383D+01  0.218331D+01  0.542855D+01  0.263934D+01 -0.604779D+01
                 6             7             8             9            10 
      1   0.304124D+01  0.122001D+01  0.385301D+01  0.491995D+01 -0.248106D+02
      2  -0.694969D+00  0.305849D+01 -0.106048D+02  0.385961D+01  0.133337D+02
      3  -0.234628D+01 -0.427850D+01  0.675181D+01 -0.877955D+01  0.114769D+02
      4   0.159907D+01 -0.205863D+01  0.583826D+01  0.463497D+01  0.350632D+01
      5   0.335069D+01 -0.270275D+01  0.284125D+01 -0.163470D+02 -0.522625D-01
      6  -0.767382D+01  0.423445D+01 -0.379727D+01  0.200051D+02 -0.442811D+00
                11            12            13            14            15 
      1  -0.146165D+01  0.262899D+01  0.177872D+01  0.754465D+01  0.535547D-01
      2   0.318233D+01  0.859718D+00 -0.888126D+00 -0.185755D+01 -0.779648D+00
      3  -0.172068D+01 -0.348871D+01 -0.890594D+00 -0.568710D+01  0.726094D+00
      4  -0.383019D+00 -0.532238D-01  0.771599D+01  0.612715D+00 -0.176175D+01
      5  -0.473288D+00 -0.272395D+00  0.888698D+00 -0.886694D+00 -0.495909D+01
      6   0.222400D+00  0.217312D+01 -0.112633D+01 -0.289149D+00  0.128755D+00
                16            17            18            19            20 
      1  -0.397295D+01  0.160204D+01  0.131302D+02 -0.247371D+01  0.495472D+01
      2   0.238808D+01 -0.432603D+01  0.146110D+01  0.615516D+00 -0.926243D+01
      3   0.158487D+01  0.272399D+01 -0.145913D+02  0.185820D+01  0.430771D+01
      4   0.233309D+01 -0.251394D+01 -0.268194D+01 -0.144514D+01 -0.675515D+01
      5   0.733774D+01 -0.291407D+01  0.221618D+02  0.122573D+01  0.276205D+01
      6   0.757162D+00  0.559064D+00  0.543888D+01 -0.874488D+00  0.350489D+01
                21            22            23            24            25 
      1  -0.195765D+01  0.148173D+01 -0.243180D+01 -0.297593D+01  0.160160D+01
      2   0.235016D+00 -0.606394D+01 -0.778513D+00  0.241083D+01  0.325193D+01
      3   0.172264D+01  0.458221D+01  0.321031D+01  0.565104D+00 -0.485353D+01
      4   0.684549D+00 -0.112006D+02 -0.583235D+01  0.103783D+01  0.362139D+01
      5  -0.394427D+01  0.141244D+01  0.288634D+01 -0.606146D+00 -0.148255D+01
      6  -0.590549D+01  0.226949D+01  0.418004D+01 -0.230729D+01 -0.314856D+01
                26            27            28            29            30 
      1  -0.549421D+00 -0.209703D+01 -0.127441D+02  0.714207D+01 -0.745359D+00
      2   0.446429D+01  0.571860D+01  0.597237D+01 -0.835314D+01  0.137681D+01
      3  -0.391487D+01 -0.362157D+01  0.677174D+01  0.121107D+01 -0.631455D+00
      4   0.568156D+01 -0.378280D+00 -0.114278D+01 -0.177023D+01 -0.513199D+00
      5   0.105328D+01 -0.984862D+01 -0.232504D+01 -0.110000D+01 -0.212086D+01
      6   0.198649D+01 -0.155436D+02 -0.132637D+00 -0.241760D+01 -0.751618D+00
                31            32            33            34            35 
      1   0.378717D+01  0.102975D+02 -0.359689D+01 -0.480780D+01 -0.579403D+00
      2  -0.278249D+01 -0.104300D+02 -0.375064D+01  0.244755D+01 -0.423630D+00
      3  -0.100468D+01  0.132511D+00  0.734752D+01  0.236025D+01  0.100303D+01
      4  -0.287827D+01 -0.781537D+01 -0.500903D+01  0.398346D+01 -0.191550D+01
      5   0.183883D+01 -0.699037D+01 -0.767223D+01  0.745741D-01 -0.238128D+01
      6  -0.423953D+01  0.350911D+01 -0.101224D+01 -0.148081D+01  0.126202D+01
                36            37            38            39            40 
      1   0.164194D+02  0.126816D+02 -0.212190D+01  0.135446D+01 -0.107608D+01
      2   0.126924D+02 -0.792830D+01  0.152286D+01 -0.166630D+01  0.177287D+01
      3  -0.291118D+02 -0.475335D+01  0.599041D+00  0.311834D+00 -0.696787D+00
      4  -0.298970D+01 -0.862790D+01  0.132472D+02  0.187625D+00  0.131158D+02
      5   0.182718D+02  0.242810D+01  0.464845D+00  0.159977D+02 -0.142900D+01
      6   0.272105D+00  0.156026D+01  0.722850D+00  0.473355D+01  0.129802D+01
                41            42            43            44            45 
      1  -0.122762D+02  0.322061D+01  0.322424D+01  0.210788D+01 -0.496499D+01
      2   0.178595D+02  0.181712D+01 -0.402177D+01 -0.303585D+01 -0.338887D+01
      3  -0.558329D+01 -0.503773D+01  0.797530D+00  0.927969D+00  0.835386D+01
      4  -0.381225D+00  0.779402D+00 -0.537442D+01 -0.742000D+00 -0.182096D+01
      5   0.165645D+01  0.258780D+01  0.489588D+01 -0.142880D+01  0.135449D+01
      6  -0.321506D+00  0.596591D+01 -0.134576D+01  0.477365D+01  0.634147D+00
                46            47            48            49            50 
      1  -0.116397D+02  0.541853D+01  0.201867D+01 -0.344053D+01 -0.307893D+01
      2   0.102438D+02 -0.612429D+01  0.174536D+01 -0.383630D+01 -0.339754D+01
      3   0.139585D+01  0.705755D+00 -0.376402D+01  0.727684D+01  0.647647D+01
      4   0.618093D+01 -0.124126D+02 -0.208934D+01 -0.147047D+02 -0.881327D+01
      5   0.509587D+00 -0.255600D+00 -0.152864D+02  0.192534D+01  0.120813D+01
      6  -0.114125D+01  0.128202D+01 -0.863747D+01 -0.469220D-01  0.470840D+01
                51            52            53            54            55 
      1  -0.409809D+01  0.422795D+01 -0.359265D+01  0.463259D+01 -0.138307D+02
      2  -0.147594D+01  0.300633D+01  0.641133D+01  0.155361D+02  0.598538D+01
      3   0.557403D+01 -0.723428D+01 -0.281868D+01 -0.201687D+02  0.784532D+01
      4   0.164787D+01  0.236614D+01  0.499602D+01 -0.122447D-01  0.212658D+02
      5   0.216501D+01 -0.578630D+01  0.917073D+00 -0.198208D+02  0.128505D+01
      6  -0.222227D+01 -0.330849D+01  0.225628D+01 -0.194131D+02  0.218939D+01
                56            57            58            59            60 
      1   0.251498D+01 -0.773758D+00  0.283033D+01 -0.239819D+02 -0.732394D+01
      2  -0.766301D+00  0.142381D+01 -0.581736D+01  0.401392D+02  0.489150D+01
      3  -0.174867D+01 -0.650056D+00  0.298703D+01 -0.161573D+02  0.243244D+01
      4   0.144523D+01  0.617523D+00  0.108604D+02 -0.195511D+02 -0.442164D+01
      5  -0.529167D+00  0.356147D+01  0.204089D+01 -0.319235D+01 -0.240497D+01
      6  -0.871699D-02  0.745728D+00 -0.248248D+01  0.119790D+02  0.125687D+02
                61            62            63            64            65 
      1  -0.115223D+01 -0.958662D+01 -0.833472D+01  0.130771D+01  0.757249D+00
      2  -0.980024D+00  0.130545D+02  0.274574D+01 -0.315029D+01 -0.159275D+01
      3   0.213225D+01 -0.346785D+01  0.558898D+01  0.184259D+01  0.835506D+00
      4   0.652423D+01 -0.888705D+01 -0.505730D+01 -0.139241D+01  0.364589D+01
      5   0.541571D+01 -0.477002D+01 -0.328264D+01  0.414120D+01 -0.126366D+01
      6  -0.350271D+01  0.145991D+02  0.749477D+01 -0.339266D+01  0.302399D+00
                66            67            68            69            70 
      1   0.199524D+01  0.950587D+00 -0.357620D+01  0.277405D+01  0.156036D+01
      2  -0.245879D+01 -0.160220D+01  0.286547D+01 -0.289946D+01 -0.276482D+01
      3   0.463549D+00  0.651613D+00  0.710727D+00  0.125415D+00  0.120446D+01
      4  -0.304517D+01  0.320924D+01 -0.262988D+01  0.248993D+01 -0.468580D+01
      5   0.804271D+01 -0.153847D+00  0.242090D+01 -0.128024D+01  0.641050D+01
      6  -0.204696D+01  0.105176D+01 -0.409381D+01  0.746368D+01 -0.336427D+01
                71            72            73            74            75 
      1   0.433069D+01 -0.117665D+02  0.456532D+02 -0.138400D+02  0.231722D+01
      2  -0.369711D+01 -0.112592D+02 -0.274630D+02  0.677391D+01 -0.157737D+01
      3  -0.633584D+00  0.230256D+02 -0.181903D+02  0.706609D+01 -0.739847D+00
      4   0.416457D+01 -0.357953D+01 -0.172004D+02  0.271797D+01  0.305953D+01
      5  -0.239975D+01  0.172524D+02  0.456202D+01  0.407028D+01  0.917762D+01
      6   0.677890D+01 -0.218731D+02  0.487978D+00  0.224069D+00 -0.162799D+01
                76            77            78            79            80 
      1  -0.292188D+02 -0.776085D+01  0.348738D+01  0.155927D+02  0.319842D+01
      2   0.160137D+02  0.721240D+01 -0.149202D+01 -0.844387D+01 -0.144230D+01
      3   0.132051D+02  0.548448D+00 -0.199536D+01 -0.714886D+01 -0.175612D+01
      4  -0.241812D+01 -0.204642D+02  0.542655D+01  0.303280D+01  0.767297D+01
      5   0.442841D+01  0.657685D+01 -0.585280D+01  0.933731D+01 -0.287687D+01
      6   0.168924D+01  0.175986D+01  0.373178D+01 -0.100654D+01  0.229926D+01
                81            82            83            84            85 
      1   0.197798D+01  0.341055D+00  0.216216D+00 -0.552156D+01  0.797318D+00
      2  -0.493446D+01 -0.310909D+01  0.854488D-01  0.707489D+00 -0.410907D+00
      3   0.295647D+01  0.276803D+01 -0.301665D+00  0.481407D+01 -0.386410D+00
      4  -0.267345D+01 -0.239081D+00  0.173259D+00 -0.238261D+00  0.230953D+00
      5   0.253741D+01 -0.216291D+01 -0.265305D+00  0.311026D+01 -0.159478D+00
      6   0.438143D+00 -0.741990D+00  0.472212D+00 -0.690740D+00 -0.145927D-01
                86            87            88            89            90 
      1  -0.474311D+01  0.165034D+01 -0.742238D+01  0.159182D+01 -0.167334D+02
      2   0.875289D+00 -0.910327D-01  0.343210D+01  0.460714D+00 -0.132615D+02
      3   0.386782D+01 -0.155930D+01  0.399028D+01 -0.205254D+01  0.299950D+02
      4   0.142543D+01 -0.217499D+01 -0.931602D+00 -0.398303D+01  0.162292D+01
      5  -0.240528D+01  0.218988D+01  0.382717D+01  0.210315D+01 -0.203828D+02
      6  -0.158065D+01  0.735607D+01 -0.192890D+00  0.421133D+01 -0.480314D+01
                91            92            93            94            95 
      1   0.211528D+01 -0.199610D+01  0.195131D+01 -0.164250D+01 -0.531990D+00
      2  -0.326351D+01  0.271773D+01 -0.133030D+01  0.214263D+01 -0.109591D+01
      3   0.114823D+01 -0.721622D+00 -0.621012D+00 -0.500132D+00  0.162790D+01
      4   0.307286D+00  0.305604D+01  0.131009D+01  0.348124D+01  0.597203D+00
      5   0.337721D+01 -0.442751D+00  0.540949D+01 -0.147176D+00  0.203513D+01
      6   0.202479D+01 -0.117255D-01  0.172871D+01  0.593808D+00  0.138261D+01
                96            97            98            99           100 
      1  -0.107722D+01  0.182425D+01 -0.316066D+01 -0.855628D+01  0.117918D+02
      2   0.189842D+01 -0.351669D+01  0.473194D+01 -0.122232D+02 -0.231866D+01
      3  -0.821194D+00  0.169243D+01 -0.157128D+01  0.207795D+02 -0.947313D+01
      4   0.234948D+01  0.251014D+01  0.326477D+01  0.769095D+00  0.187759D+02
      5   0.279683D+00  0.562532D+01 -0.363705D+00  0.125167D+02 -0.425582D+01
      6   0.425530D+01  0.208335D+01  0.309411D+01  0.142588D+02 -0.536126D+01
               101           102           103           104           105 
      1  -0.856825D+01 -0.224656D+00 -0.323509D+01  0.815661D+01  0.569203D+01
      2   0.196012D+02  0.258208D+01  0.112377D+02 -0.782032D+01 -0.793617D+01
      3  -0.110330D+02 -0.235743D+01 -0.800258D+01 -0.336292D+00  0.224414D+01
      4   0.213698D+02 -0.359803D+01  0.183676D+02  0.118663D+02 -0.368065D+01
      5  -0.122820D+01  0.888756D+01 -0.954762D+00 -0.675632D+01  0.132495D+01
      6  -0.306410D+01  0.672854D+01 -0.208803D+01 -0.101383D+02  0.669525D+01
               106           107           108           109           110 
      1  -0.238558D+01  0.104858D+02 -0.151570D+01  0.930762D+01 -0.131167D+02
      2   0.685603D+00 -0.164436D+02 -0.223053D+01 -0.698868D+01  0.101135D+02
      3   0.169998D+01  0.595780D+01  0.374623D+01 -0.231895D+01  0.300321D+01
      4  -0.786598D+01 -0.100495D+02  0.563777D+01 -0.112429D+02 -0.132893D+02
      5   0.787414D+01  0.324511D+01 -0.349197D+01  0.753693D+01 -0.231802D+00
      6   0.715795D+01  0.884140D+01 -0.719910D+01 -0.169883D+01  0.539245D+01
               111           112           113           114           115 
      1   0.695932D+01 -0.139968D+02 -0.182005D+02  0.261556D+01  0.843428D+01
      2  -0.140653D+01  0.101744D+02  0.667656D+01 -0.597339D+01 -0.317193D+01
      3  -0.555279D+01  0.382244D+01  0.115239D+02  0.335783D+01 -0.526234D+01
      4  -0.208565D+01 -0.233210D+02  0.758471D+01  0.217179D+02 -0.210345D+01
      5  -0.769729D+01 -0.124995D+01  0.247002D+02  0.148361D+02 -0.269791D+02
      6   0.290573D+01  0.927219D+01 -0.903311D+01 -0.962896D+01  0.897849D+01
               116           117           118           119           120 
      1   0.335385D+01 -0.116868D+02  0.123661D+01 -0.198491D+00 -0.442955D+01
      2  -0.250282D+01  0.425751D+01 -0.437690D+01  0.171643D+00  0.102726D+01
      3  -0.851026D+00  0.742928D+01  0.314030D+01  0.268476D-01  0.340229D+01
      4   0.166098D+02  0.171516D+02 -0.211280D+00  0.143298D+01  0.968968D+00
      5   0.168927D+02 -0.168796D+01 -0.350052D+01  0.857596D-01  0.635051D+01
      6  -0.164119D+02 -0.503457D+01  0.497130D+00  0.618771D+00 -0.342965D+00
               121           122           123           124           125 
      1   0.517951D-01 -0.516496D+01  0.618729D+00 -0.437499D+01  0.111800D+01
      2  -0.417673D+00  0.925863D+00  0.175298D+01  0.506620D+01  0.808699D+00
      3   0.365878D+00  0.423910D+01 -0.237171D+01 -0.691216D+00 -0.192670D+01
      4   0.137462D+01  0.161284D+01 -0.193429D+01  0.113512D+01 -0.261774D+01
      5  -0.670418D+00 -0.257171D+01  0.200502D+01  0.737588D+01  0.118062D+01
      6   0.128146D+00 -0.318689D+00  0.757716D+01  0.633259D+00  0.525783D+01
               126           127           128           129           130 
      1  -0.213910D+02  0.108795D+02 -0.697751D+01 -0.249398D+01 -0.206492D+00
      2  -0.188350D+02  0.327645D+00  0.181143D+02  0.372930D+01  0.915560D+01
      3   0.402259D+02 -0.112071D+02 -0.111368D+02 -0.123532D+01 -0.894911D+01
      4   0.148855D+01  0.163945D+02  0.218460D+02 -0.293116D+01  0.191148D+02
      5  -0.203287D+02 -0.248554D+01  0.621323D+00  0.762166D+01 -0.157979D+00
      6   0.232008D+01 -0.339476D+01  0.131994D+01  0.626057D+01  0.639211D+00
               131           132           133           134           135 
      1   0.116244D+02  0.100408D+02 -0.505015D+01  0.164905D+02  0.436540D+00
      2  -0.107988D+02 -0.132720D+02  0.945680D+00 -0.282159D+02 -0.561353D+01
      3  -0.825632D+00  0.323120D+01  0.410447D+01  0.117254D+02  0.517699D+01
      4   0.114943D+02 -0.461723D+01 -0.950170D+01 -0.150570D+02  0.354452D+01
      5  -0.639619D+01  0.668939D+00  0.675119D+01  0.507592D+00 -0.428161D+01
      6  -0.183181D+02  0.414698D+01  0.559056D+01  0.357452D+01 -0.962739D+01
               136           137           138           139           140 
      1   0.185257D+01 -0.293908D+00  0.215615D+01 -0.117165D+01 -0.212882D+01
      2  -0.491290D+01  0.362076D+00 -0.270984D+01  0.200659D+01 -0.485432D+00
      3   0.306033D+01 -0.681677D-01  0.553684D+00 -0.834934D+00  0.261426D+01
      4   0.129905D+01  0.329851D+01  0.329630D+01  0.325098D+01  0.408348D+00
      5   0.560810D+01  0.982934D+00  0.985114D+01 -0.603581D+00  0.265052D+01
      6   0.340918D+01  0.912165D+00  0.253310D+01  0.916647D+00  0.204906D+01
               141           142           143           144           145 
      1  -0.884208D+00  0.622999D+00 -0.268910D+01 -0.146753D+02  0.229070D+02
      2   0.383964D+01 -0.421070D+01  0.360349D+01 -0.185607D+02 -0.444339D+01
      3  -0.295544D+01  0.358770D+01 -0.914396D+00  0.332360D+02 -0.184636D+02
      4   0.213873D+01  0.551350D+01  0.531342D+01  0.211386D+01 -0.357425D+02
      5  -0.239444D+01  0.983131D+01  0.173915D+01  0.212957D+02 -0.607763D+01
      6   0.493185D+01  0.407291D+01  0.588389D+01  0.200422D+02  0.198244D+01
               146           147           148           149           150 
      1  -0.252073D+01 -0.225934D+00 -0.197116D+01  0.925470D+00  0.465448D+00
      2  -0.795475D+01  0.334793D+00 -0.312601D+01  0.457579D+01 -0.256002D+00
      3   0.104755D+02 -0.108859D+00  0.509716D+01 -0.550126D+01 -0.209446D+00
      4   0.201673D+02  0.339264D+01  0.109871D+02 -0.729075D+01 -0.681021D+00
      5   0.284273D+01  0.497033D+01  0.118808D+01 -0.462082D+00 -0.166665D+01
      6  -0.272761D+01 -0.563783D+01 -0.123059D+01  0.342835D+00  0.168445D+01
               151           152           153           154           155 
      1   0.948246D+00  0.373677D+00  0.276150D+00  0.310031D+02  0.139014D+02
      2  -0.103860D+00 -0.935214D+00 -0.755993D+00 -0.158106D+02 -0.692952D+01
      3  -0.844385D+00  0.561537D+00  0.479843D+00 -0.151926D+02 -0.697185D+01
      4  -0.640389D+00  0.446778D+00 -0.355042D+01  0.147746D+02  0.141295D+02
      5   0.472762D+01 -0.221714D+01 -0.116048D+01 -0.558721D+01 -0.319736D+01
      6  -0.315822D+01  0.348967D+01  0.181524D+01 -0.105890D+01 -0.734110D+00
               156           157           158           159           160 
      1  -0.478592D+01  0.261832D+02  0.127389D+02 -0.389407D+01 -0.838866D+01
      2   0.219845D+01 -0.134242D+02 -0.431010D+01  0.188935D+01  0.507404D+01
      3   0.258746D+01 -0.127589D+02 -0.842879D+01  0.200472D+01  0.331462D+01
      4  -0.270516D+01  0.181098D+02  0.192939D+02 -0.467829D+01 -0.469332D+01
      5   0.702603D+01 -0.526833D+01 -0.510701D+01  0.662279D+01  0.871345D+01
      6   0.857207D+00 -0.170697D+01 -0.142941D+01  0.150255D+01  0.168508D+01
               161           162           163           164           165 
      1  -0.422749D+01  0.488266D+01 -0.187819D+01  0.781991D+01  0.146859D+00
      2   0.242115D+01 -0.407718D+01  0.325859D+01 -0.114347D+02 -0.152984D+01
      3   0.180634D+01 -0.805479D+00 -0.138040D+01  0.361478D+01  0.138298D+01
      4  -0.601660D+01  0.352355D+01 -0.175520D+01  0.646571D+00  0.115856D+01
      5   0.404184D+01 -0.349638D+01  0.550744D+00 -0.997958D+00 -0.104442D+01
      6   0.260038D+01 -0.126291D+01  0.138404D+01  0.256481D+00 -0.175099D+01
               166           167           168           169           170 
      1   0.389565D+01 -0.266793D+02 -0.190474D+01  0.119451D+01 -0.658918D+01
      2  -0.276552D+01  0.466138D+02  0.554589D+01 -0.857718D+00  0.111023D+02
      3  -0.113013D+01 -0.199345D+02 -0.364115D+01 -0.336793D+00 -0.451314D+01
      4   0.640828D+01  0.127421D+02  0.112284D+01  0.225644D+01  0.378977D+01
      5  -0.112395D+01  0.317652D+01  0.287615D+01  0.956602D+00  0.230477D+01
      6  -0.556338D+00  0.986667D+00  0.679492D+01 -0.377581D+00  0.667045D+01
               171           172           173           174           175 
      1  -0.449330D+01  0.298791D+02  0.821927D+01  0.368589D+01  0.125106D+02
      2   0.458953D+01 -0.180783D+02 -0.729661D+01 -0.584520D+01 -0.986560D+01
      3  -0.962336D-01 -0.118008D+02 -0.922651D+00  0.215931D+01 -0.264500D+01
      4   0.131865D+01 -0.421142D+01  0.138093D+02 -0.588494D+01  0.124627D+02
      5   0.691992D+00  0.158304D+02 -0.336201D+01  0.189115D+02 -0.147664D+01
      6   0.175776D+01 -0.607336D+00  0.767434D+01 -0.651748D+01  0.550064D+01
               176           177           178           179           180 
      1   0.127757D+02 -0.423632D+01  0.723713D+01 -0.744571D+01  0.804134D+01
      2  -0.534447D+01  0.176612D+01 -0.740505D+01  0.229907D+01 -0.173413D+02
      3  -0.743123D+01  0.247020D+01  0.167919D+00  0.514663D+01  0.929993D+01
      4   0.213695D+01  0.298784D+01 -0.735914D+01  0.156583D+01 -0.881025D+01
      5   0.431119D+01  0.363752D+01  0.290816D+02 -0.830384D+01  0.253172D+02
      6   0.329089D+01  0.137744D+01 -0.911393D+01  0.100771D+02 -0.225354D+01
               181           182           183           184           185 
      1   0.319222D+02  0.151277D+02 -0.670590D+01  0.258748D+02  0.128601D+02
      2  -0.171324D+02 -0.809869D+01  0.404825D+01 -0.145780D+02 -0.486034D+01
      3  -0.147899D+02 -0.702898D+01  0.265765D+01 -0.112967D+02 -0.799978D+01
      4   0.140107D+02  0.131499D+02 -0.254160D+01  0.157461D+02  0.197942D+02
      5  -0.104026D+02 -0.439517D+01  0.942486D+01 -0.738529D+01 -0.987110D+01
      6  -0.120690D+01 -0.253756D+01  0.215415D+00 -0.293422D+01 -0.231543D+01
               186           187           188           189           190 
      1  -0.427024D+01 -0.773198D+01 -0.208834D+01  0.606121D+01  0.127614D+02
      2   0.362976D+01  0.552547D+01  0.234949D+01 -0.546087D+01 -0.455836D+01
      3   0.640486D+00  0.220651D+01 -0.261152D+00 -0.600344D+00 -0.820305D+01
      4  -0.808687D+01 -0.235809D+01 -0.616875D+01  0.441368D+01 -0.125909D+02
      5   0.848469D+01  0.121224D+02  0.589945D+01 -0.616971D+01 -0.122350D+02
      6   0.261870D+01  0.810904D+00  0.385027D+01 -0.187670D+01  0.553092D+01
               191           192           193           194           195 
      1  -0.724096D+01 -0.796288D+01 -0.117555D+02  0.375578D+01  0.180358D+00
      2   0.160717D+01  0.397738D+01  0.202953D+01  0.840278D+01  0.286205D+01
      3   0.563379D+01  0.398550D+01  0.972601D+01 -0.121586D+02 -0.304241D+01
      4   0.134032D+02  0.693019D+01  0.236214D+02 -0.313594D+02 -0.175921D+02
      5   0.647480D+01  0.102309D+02  0.122213D+02 -0.187768D+02 -0.206480D+02
      6  -0.406387D+01 -0.393489D+01 -0.815926D+01  0.153638D+02  0.142067D+02
               196           197           198           199           200 
      1  -0.936050D+01 -0.241104D-01  0.145291D+01 -0.102376D+01  0.942746D+01
      2   0.545687D+01  0.131613D+01 -0.292840D+01  0.300921D+01 -0.129147D+02
      3   0.390363D+01 -0.129202D+01  0.147549D+01 -0.198545D+01  0.348721D+01
      4   0.105737D+02 -0.149042D+02 -0.153338D+02  0.120280D+01  0.327309D+01
      5   0.162582D+02 -0.162174D+02 -0.223933D+02  0.888630D+00 -0.187255D+00
      6  -0.705321D+01  0.125616D+02  0.136445D+02  0.187100D+01 -0.342396D+01
               201           202           203           204           205 
      1   0.225687D+01  0.337633D+01 -0.318507D+02 -0.705851D+01  0.191232D+01
      2  -0.303125D+01 -0.101795D+01  0.557500D+02  0.115590D+02 -0.999565D+00
      3   0.774374D+00 -0.235838D+01 -0.238993D+02 -0.450048D+01 -0.912751D+00
      4   0.128746D+01  0.718732D+01  0.195218D+02  0.328227D+01  0.342377D+01
      5   0.178646D+00  0.971951D-01  0.587008D+01  0.432903D+01  0.150693D+01
      6  -0.259857D+01 -0.262361D+00  0.146594D+02  0.102084D+02 -0.584272D-02
               206           207           208           209           210 
      1  -0.142453D+02 -0.773292D+01 -0.122702D+02 -0.970447D+01  0.697992D+01
      2   0.220817D+02  0.944503D+01  0.786900D+01  0.651426D+01 -0.189517D+01
      3  -0.783636D+01 -0.171211D+01  0.440122D+01  0.319021D+01 -0.508475D+01
      4   0.814448D+01  0.341792D+01  0.497185D+00 -0.557315D+01  0.274412D+01
      5   0.527189D+01  0.261909D+01 -0.167294D+01  0.128132D+01 -0.629174D+01
      6   0.142496D+02  0.733805D+01 -0.264715D+01 -0.609906D+01  0.613279D+01
               211           212           213           214           215 
      1  -0.135918D+02 -0.137641D+02  0.738915D+01  0.616447D+01  0.618141D+01
      2   0.812342D+01  0.126344D+02 -0.505957D+01 -0.274446D+01 -0.356842D+01
      3   0.546840D+01  0.112971D+01 -0.232958D+01 -0.342001D+01 -0.261298D+01
      4   0.143600D+01 -0.112298D+02  0.638135D+01  0.298746D+00  0.536717D+01
      5  -0.170589D+01  0.503456D+01 -0.787368D+01  0.172730D+01 -0.304249D+01
      6  -0.282770D+01 -0.101893D+02  0.843817D+01  0.213717D+01  0.687720D+01
               216 
      1  -0.748858D+01
      2   0.135950D+01
      3   0.612907D+01
      4  -0.274918D+01
      5   0.699632D+01
      6  -0.643627D+01
 Leave Link  716 at Mon Sep 27 16:03:13 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.112900D+03  0.108248D+01 -0.167683D+01
      2   0.108248D+01  0.105545D+03  0.136336D+00
      3  -0.167683D+01  0.136336D+00  0.888082D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.185698D+01 -0.864359D+01 -0.152856D+01
      2   0.124942D+02 -0.336567D+01  0.138774D+02
      3   0.255600D+01 -0.685103D+01  0.168523D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.206233D+02 -0.145706D+02  0.133459D+02
      2  -0.226578D+02  0.121702D+02  0.884771D+01
      3   0.203454D+01  0.240038D+01 -0.221936D+02
      4  -0.155563D+02 -0.103871D+02 -0.111152D+02
      5  -0.873027D+01 -0.101638D+02  0.279262D+02
      6  -0.834209D+01 -0.109719D+02 -0.484851D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.318341D+01  0.375318D+00  0.172934D+00 -0.408760D+00  0.246646D+01
      2   0.375318D+00  0.316812D+01  0.231576D+00  0.246646D+01 -0.141899D+01
      3   0.172934D+00  0.231576D+00  0.104579D+01  0.518782D+00 -0.118101D+01
                 6             7             8             9            10 
      1   0.518782D+00 -0.163166D+00  0.436917D+00  0.129080D+01  0.426009D+01
      2  -0.118101D+01  0.436917D+00 -0.242959D+01 -0.112415D+01 -0.655246D+00
      3  -0.429901D+00  0.129080D+01 -0.112415D+01  0.792055D+01 -0.794403D-01
                11            12            13            14            15 
      1  -0.655246D+00 -0.794403D-01 -0.739038D+00 -0.254149D+01 -0.179235D+00
      2  -0.223137D+01 -0.619226D-01 -0.254149D+01 -0.394306D+00  0.704686D+00
      3  -0.619226D-01 -0.249142D+01 -0.179235D+00  0.704686D+00  0.159839D+01
                16            17            18            19            20 
      1   0.846913D+00 -0.405950D+00 -0.168986D+01  0.259767D+01 -0.274416D+00
      2  -0.405950D+00  0.144531D+01  0.959637D+00 -0.274416D+00 -0.271359D+01
      3  -0.168986D+01  0.959637D+00 -0.745578D+01 -0.614667D-01  0.424383D+00
                21            22            23            24            25 
      1  -0.614667D-01 -0.860548D+00 -0.333928D+01  0.151789D+00  0.543479D+00
      2   0.424383D+00 -0.333928D+01  0.686893D+00  0.131617D+01  0.648376D+00
      3  -0.956431D+00  0.151789D+00  0.131617D+01  0.136347D+01 -0.137207D+01
                26            27            28            29            30 
      1   0.648376D+00 -0.137207D+01 -0.113745D+01  0.196762D+01 -0.573485D+00
      2   0.194600D+01  0.117607D+01  0.196762D+01  0.256031D+01 -0.117990D+00
      3   0.117607D+01 -0.718298D+01 -0.573485D+00 -0.117990D+00  0.304103D+00
                31            32            33            34            35 
      1   0.239654D+01  0.342430D+01  0.791578D+00 -0.183757D+01  0.427160D+00
      2   0.342430D+01 -0.103013D+01 -0.157390D+01  0.427160D+00 -0.203262D+01
      3   0.791578D+00 -0.157390D+01 -0.171802D+01  0.382559D+00 -0.735085D+00
                36            37            38            39            40 
      1   0.382559D+00  0.500162D+01 -0.157277D+01 -0.278924D+00 -0.328789D+01
      2  -0.735085D+00 -0.157277D+01  0.790495D-01 -0.337316D+00 -0.910066D+00
      3   0.710779D+01 -0.278924D+00 -0.337316D+00 -0.454940D+00 -0.308104D+00
                41            42            43            44            45 
      1  -0.910066D+00 -0.308104D+00  0.225732D+01  0.450842D+00  0.159591D+00
      2  -0.354926D+01  0.643005D+00  0.450842D+00  0.141835D+01 -0.338927D+00
      3   0.643005D+00  0.837996D+00  0.159591D+00 -0.338927D+00 -0.109052D+01
                46            47            48            49            50 
      1  -0.457053D+01 -0.703628D+00  0.364914D+00  0.115604D+01  0.240525D+01
      2  -0.703628D+00  0.783125D+00  0.460439D+00  0.240525D+01 -0.877466D+00
      3   0.364914D+00  0.460439D+00  0.159391D+01 -0.191077D+00 -0.940792D+00
                51            52            53            54            55 
      1  -0.191077D+00 -0.762381D+00 -0.331710D-01  0.164811D+01  0.499738D+01
      2  -0.940792D+00 -0.331710D-01 -0.166520D+01 -0.964531D+00 -0.908647D-01
      3  -0.221406D+01  0.164811D+01 -0.964531D+00  0.761847D+01  0.404103D+00
                56            57            58            59            60 
      1  -0.908647D-01  0.404103D+00  0.894719D+00 -0.139589D+01 -0.344017D+00
      2   0.668559D+00  0.290703D+00 -0.139589D+01  0.661378D+01  0.164959D+01
      3   0.290703D+00  0.664616D+00 -0.344017D+00  0.164959D+01  0.255059D+00
                61            62            63            64            65 
      1   0.132863D+01 -0.773315D+00 -0.661696D+00 -0.154350D+00  0.608054D-01
      2  -0.773315D+00  0.290832D+01  0.172383D+01  0.608054D-01 -0.883400D+00
      3  -0.661696D+00  0.172383D+01  0.572537D+00 -0.108570D+01  0.111902D+00
                66            67            68            69            70 
      1  -0.108570D+01  0.214745D+00 -0.712409D+00  0.102242D+00 -0.205603D+01
      2   0.111902D+00 -0.712409D+00  0.741169D+00 -0.997639D+00  0.324565D+00
      3  -0.818063D+00  0.102242D+00 -0.997639D+00  0.669366D+00 -0.967568D+00
                71            72            73            74            75 
      1   0.324565D+00 -0.967568D+00 -0.651119D+01  0.218377D+01 -0.994828D-01
      2  -0.187989D+01  0.949077D+00  0.218377D+01  0.806253D+00 -0.547235D+00
      3   0.949077D+00 -0.703872D+01 -0.994828D-01 -0.547235D+00  0.764817D+00
                76            77            78            79            80 
      1   0.498317D+01  0.473540D+00 -0.610886D+00 -0.249897D+01 -0.582879D+00
      2   0.473540D+00  0.356643D+01 -0.882376D+00 -0.582879D+00 -0.143349D+01
      3  -0.610886D+00 -0.882376D+00  0.782568D+00 -0.716398D+00  0.319997D+00
                81            82            83            84            85 
      1  -0.716398D+00 -0.481759D-01  0.231822D-01  0.107494D+01 -0.184129D+00
      2   0.319997D+00  0.231822D-01  0.602990D+00 -0.229896D-01  0.559007D+00
      3   0.294887D-01  0.107494D+01 -0.229896D-01  0.806283D+00 -0.407934D-01
                86            87            88            89            90 
      1   0.559007D+00 -0.407934D-01  0.202250D+01  0.114008D+00  0.956904D-01
      2  -0.504779D+00  0.858295D+00  0.114008D+00  0.157378D+01 -0.648527D+00
      3   0.858295D+00 -0.908144D+00  0.956904D-01 -0.648527D+00  0.740875D+01
                91            92            93            94            95 
      1   0.452129D+00 -0.209442D+00  0.107805D+01 -0.504340D-01  0.924007D+00
      2  -0.209442D+00  0.992004D+00  0.122065D-01  0.924007D+00 -0.307404D+00
      3   0.107805D+01  0.122065D-01  0.683536D+00  0.557365D-01  0.813815D+00
                96            97            98            99           100 
      1   0.557365D-01  0.220053D+01 -0.208057D+00  0.108882D+01  0.390664D+01
      2   0.813815D+00 -0.208057D+00  0.176955D+01 -0.581860D-01  0.187137D+01
      3  -0.107130D+00  0.108882D+01 -0.581860D-01  0.655908D+01 -0.106891D+01
               101           102           103           104           105 
      1   0.187137D+01 -0.106891D+01  0.796297D+00  0.333256D+01 -0.122867D-01
      2   0.421745D+01 -0.689214D-01  0.333256D+01 -0.769651D+00 -0.163785D+01
      3  -0.689214D-01  0.762378D+00 -0.122867D-01 -0.163785D+01 -0.933599D+00
               106           107           108           109           110 
      1  -0.178557D+01 -0.617296D+00  0.132935D+01  0.217348D+01 -0.197941D+01
      2  -0.617296D+00 -0.350373D+01  0.657146D+00 -0.197941D+01 -0.234596D+01
      3   0.132935D+01  0.657146D+00 -0.538092D+00  0.149462D+01 -0.250268D+00
               111           112           113           114           115 
      1   0.149462D+01 -0.164814D+01 -0.398844D+01 -0.665359D+00  0.260998D+01
      2  -0.250268D+00 -0.398844D+01  0.985421D+00  0.366707D+01 -0.735054D+00
      3  -0.721578D+00 -0.665359D+00  0.366707D+01  0.207533D+01 -0.312378D+01
               116           117           118           119           120 
      1  -0.735054D+00 -0.312378D+01  0.364543D+00 -0.164769D+00 -0.133735D+01
      2   0.352802D+01  0.258877D+01 -0.164769D+00 -0.442578D+00  0.665933D-01
      3   0.258877D+01 -0.329396D+00 -0.133735D+01  0.665933D-01 -0.237082D+00
               121           122           123           124           125 
      1  -0.100885D+00 -0.383533D+00 -0.229237D+00 -0.209845D+01 -0.252616D+00
      2  -0.383533D+00  0.625741D+00 -0.103346D+01 -0.252616D+00 -0.144958D+01
      3  -0.229237D+00 -0.103346D+01  0.540299D+00  0.520998D+00  0.389524D+00
               126           127           128           129           130 
      1   0.520998D+00 -0.263218D+01 -0.184818D+01  0.849147D+00 -0.143693D+01
      2   0.389524D+00 -0.184818D+01 -0.333296D+01 -0.206189D+00 -0.235963D+01
      3  -0.832527D+01  0.849147D+00 -0.206189D+00 -0.457029D+00 -0.122499D+00
               131           132           133           134           135 
      1  -0.235963D+01 -0.122499D+00  0.207940D+01  0.601465D+00 -0.105029D+01
      2   0.193845D+01  0.230018D+01  0.601465D+00  0.514685D+01 -0.813039D-01
      3   0.230018D+01  0.116769D+01 -0.105029D+01 -0.813039D-01  0.104360D+01
               136           137           138           139           140 
      1  -0.443545D+00 -0.434120D-01 -0.135460D+01  0.646415D-01 -0.601075D+00
      2  -0.434120D-01 -0.355806D+00 -0.291964D+00 -0.601075D+00  0.102211D+00
      3  -0.135460D+01 -0.291964D+00 -0.899466D+00  0.854748D-01 -0.892782D+00
               141           142           143           144           145 
      1   0.854748D-01 -0.248779D+01 -0.550586D+00 -0.147182D+01 -0.724025D+01
      2  -0.892782D+00 -0.550586D+00 -0.159775D+01 -0.410671D+00  0.267138D+01
      3   0.485195D+00 -0.147182D+01 -0.410671D+00 -0.769637D+01  0.622398D+00
               146           147           148           149           150 
      1   0.267138D+01  0.622398D+00  0.146607D+01 -0.122093D+01 -0.136384D+00
      2  -0.314822D+01 -0.548930D+00 -0.122093D+01  0.130602D+01 -0.889742D-02
      3  -0.548930D+00 -0.132318D+01 -0.136384D+00 -0.889742D-02  0.472038D+00
               151           152           153           154           155 
      1  -0.125878D+00 -0.171736D-01 -0.655198D+00 -0.491669D+01 -0.217582D+01
      2  -0.171736D-01 -0.182150D+00  0.547837D+00 -0.217582D+01 -0.214878D+01
      3  -0.655198D+00  0.547837D+00  0.468512D+00  0.674657D+00  0.418357D+00
               156           157           158           159           160 
      1   0.674657D+00 -0.437910D+01 -0.240816D+01  0.612329D+00  0.154834D+01
      2   0.418357D+00 -0.240816D+01 -0.318083D+01  0.641662D+00  0.781644D+00
      3  -0.112321D+01  0.612329D+00  0.641662D+00 -0.987721D+00 -0.115176D+01
               161           162           163           164           165 
      1   0.781644D+00 -0.115176D+01 -0.683900D+00  0.639512D+00  0.331127D+00
      2   0.104709D+01 -0.532428D+00  0.639512D+00 -0.179623D+01 -0.745064D-01
      3  -0.532428D+00  0.547383D+00  0.331127D+00 -0.745064D-01 -0.319269D+00
               166           167           168           169           170 
      1   0.163377D+01  0.416417D-02 -0.173706D+00  0.697856D+00 -0.156848D-01
      2   0.416417D-02  0.781682D+01  0.693243D+00 -0.156848D-01  0.192495D+01
      3  -0.173706D+00  0.693243D+00  0.144334D+01 -0.265342D-01  0.103523D+01
               171           172           173           174           175 
      1  -0.265342D-01  0.366241D+01  0.711561D+00  0.163684D+01  0.183576D+01
      2   0.103523D+01  0.711561D+00  0.195864D+01 -0.975085D+00  0.182165D+01
      3   0.235291D+00  0.163684D+01 -0.975085D+00  0.224938D+01 -0.453981D+00
               176           177           178           179           180 
      1   0.182165D+01 -0.453981D+00  0.150474D+01 -0.756742D+00  0.339100D+01
      2   0.156976D+01  0.117260D+00 -0.756742D+00 -0.424216D+00 -0.897475D+00
      3   0.117260D+00  0.126492D+01  0.339100D+01 -0.897475D+00  0.335181D+01
               181           182           183           184           185 
      1   0.427338D+01  0.218626D+01 -0.108542D+01  0.397668D+01  0.226439D+01
      2   0.218626D+01  0.188977D+01 -0.354143D+00  0.226439D+01  0.335568D+01
      3  -0.108542D+01 -0.354143D+00  0.111605D+01 -0.592147D+00 -0.129759D+01
               186           187           188           189           190 
      1  -0.592147D+00 -0.148810D+01 -0.354693D+00  0.138806D+01  0.208406D+01
      2  -0.129759D+01 -0.354693D+00 -0.105608D+01  0.729009D+00 -0.141335D+01
      3   0.112713D+01  0.138806D+01  0.729009D+00 -0.800166D+00 -0.152488D+01
               191           192           193           194           195 
      1  -0.141335D+01 -0.152488D+01 -0.290175D+01  0.306144D+01  0.138338D+01
      2   0.144414D+01  0.649291D+00  0.306144D+01 -0.502292D+01 -0.278397D+01
      3   0.649291D+00  0.105230D+01  0.138338D+01 -0.278397D+01 -0.311481D+01
               196           197           198           199           200 
      1  -0.233145D+01  0.132555D+01  0.190232D+01 -0.177680D+00 -0.715735D+00
      2   0.132555D+01 -0.248361D+01 -0.245144D+01 -0.715735D+00  0.179470D+01
      3   0.190232D+01 -0.245144D+01 -0.347466D+01 -0.306636D+00  0.357345D+00
               201           202           203           204           205 
      1  -0.306636D+00 -0.128309D+01 -0.233822D+00  0.127168D+00 -0.757261D+00
      2   0.357345D+00 -0.233822D+00 -0.924447D+01 -0.170993D+01 -0.104891D+00
      3   0.272937D+00  0.127168D+00 -0.170993D+01 -0.167808D+01 -0.281073D-01
               206           207           208           209           210 
      1  -0.104891D+00 -0.281073D-01 -0.207405D+01 -0.843726D+00  0.152563D+00
      2  -0.403861D+01 -0.184866D+01 -0.843726D+00 -0.156622D+01  0.834664D+00
      3  -0.184866D+01 -0.104091D+01  0.152563D+00  0.834664D+00 -0.151442D+01
               211           212           213           214           215 
      1  -0.213775D+01 -0.642045D+00  0.231229D+00  0.752939D+00  0.297585D+00
      2  -0.642045D+00 -0.300817D+01  0.153521D+01  0.297585D+00  0.146830D+01
      3   0.231229D+00  0.153521D+01 -0.199133D+01 -0.282202D+00 -0.984731D+00
               216 
      1  -0.282202D+00
      2  -0.984731D+00
      3   0.210960D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.188688D-01  0.108384D+00 -0.234184D+01 -0.743725D+00  0.157015D+00
      2  -0.275147D+00  0.291032D-01 -0.353849D+00  0.576992D+00  0.148300D+01
      3  -0.158316D+01 -0.551196D+00 -0.224443D+00  0.398898D+01  0.115312D+01
                 6             7             8             9            10 
      1   0.145007D+01 -0.108945D+01  0.375189D+01 -0.705715D+01 -0.581722D+00
      2   0.131564D+01 -0.350030D+01  0.244881D+00 -0.517567D+01 -0.150088D+01
      3  -0.141643D+00  0.311762D+00 -0.172982D+01  0.424449D+00 -0.177047D+01
                11            12            13            14            15 
      1  -0.108234D+01 -0.545945D+00  0.327598D+00  0.262088D+00 -0.179994D+01
      2  -0.938222D+00  0.217964D+01 -0.236486D+00 -0.135061D+01 -0.272149D+01
      3  -0.459879D+01  0.143283D+00  0.546733D+00  0.490293D+00  0.136766D+01
                16            17            18            19            20 
      1  -0.104348D+01  0.383764D+01 -0.145527D+01  0.167802D+00 -0.350009D+00
      2  -0.794322D+00 -0.143030D+01  0.102565D+02 -0.468220D+00  0.745660D+00
      3  -0.636937D+00  0.211095D+01  0.207553D+01  0.225892D+01 -0.953176D+00
                21            22            23            24            25 
      1   0.280051D+01 -0.117574D+00 -0.163841D+01 -0.170071D+01  0.233866D+01
      2   0.931114D+00 -0.106411D+01  0.590275D+00 -0.652147D+00 -0.436673D+01
      3  -0.429782D+00  0.407757D+01 -0.425678D+01 -0.222463D+01 -0.111492D+00
                26            27            28            29            30 
      1   0.161446D+01  0.598353D+01 -0.207041D+01 -0.704459D+00  0.110505D+01
      2   0.608312D+00 -0.316303D+01 -0.632117D+01  0.348740D+01 -0.117583D+01
      3  -0.807559D+00 -0.258680D+01 -0.654156D+01 -0.833932D+01 -0.590147D+00
                31            32            33            34            35 
      1  -0.729663D+00  0.374053D+00  0.230013D+01  0.249829D+00  0.378906D+01
      2   0.226166D+01 -0.105909D+01 -0.371411D+01 -0.482749D+01  0.203404D+00
      3  -0.495285D+01  0.115057D+01  0.310094D+01  0.167984D+00  0.260853D+01
                36            37            38            39            40 
      1  -0.718864D+00  0.134201D+01  0.172735D+00 -0.164919D+01  0.129169D+01
      2   0.110187D+02  0.344228D+01 -0.683789D+00  0.963138D+01 -0.204850D+01
      3   0.181169D+01 -0.747537D+01 -0.432567D+01  0.235757D+00  0.146790D+02
                41            42            43            44            45 
      1   0.224463D+01 -0.605632D+01  0.191286D+01  0.260970D+01  0.730455D+00
      2  -0.126959D+01  0.174441D+01 -0.493024D+01 -0.118656D+01  0.110646D+00
      3   0.512028D+01 -0.152206D+00 -0.253607D+01 -0.125485D+01 -0.353808D+00
                46            47            48            49            50 
      1   0.936796D+00 -0.124319D+01  0.231802D+01 -0.692159D+00 -0.251712D+01
      2  -0.319946D+01 -0.144473D+01 -0.616202D+01  0.797154D-02  0.227770D+01
      3   0.524978D+01  0.388086D+01 -0.387094D+00  0.208797D+01 -0.106507D+01
                51            52            53            54            55 
      1  -0.382898D+00  0.186396D+00  0.842864D+00  0.796288D+01 -0.793353D+00
      2   0.161274D+01 -0.625988D+01 -0.536060D+00 -0.925192D+01 -0.558615D+01
      3  -0.186074D+01  0.803543D+00 -0.113410D+01 -0.316551D+01  0.165602D+02
                56            57            58            59            60 
      1   0.379425D+00 -0.751664D+00  0.166530D+01 -0.195241D+01 -0.655285D+01
      2   0.225264D+01  0.168270D+01  0.427950D+00 -0.229786D+01 -0.180947D+01
      3  -0.259735D+01 -0.166670D+00  0.583113D+01  0.644162D+01  0.719854D+00
                61            62            63            64            65 
      1   0.623056D+00  0.128087D+01 -0.285176D+01  0.106764D+01  0.368338D+00
      2  -0.357772D+01 -0.138650D+01 -0.129671D+01  0.972985D+00 -0.440133D+00
      3   0.332360D+01  0.295295D+01  0.821006D+00 -0.808296D-01 -0.176855D+01
                66            67            68            69            70 
      1   0.716114D+00  0.633663D-01  0.134767D+01 -0.124630D+01  0.751604D+00
      2   0.183741D+01 -0.202217D-02  0.400779D+00 -0.205412D+00 -0.332741D+01
      3  -0.920833D+00  0.851941D+00 -0.276716D+00 -0.746886D+00 -0.270191D+01
                71            72            73            74            75 
      1   0.354468D+01  0.858790D+01  0.613633D+00 -0.197186D+00  0.549758D+00
      2  -0.339985D+00  0.615149D+01  0.410095D+01  0.225503D+01  0.485244D+01
      3  -0.176945D+01 -0.150725D+00  0.924241D+01 -0.269156D+01 -0.239327D+01
                76            77            78            79            80 
      1  -0.126201D+01  0.109323D+01 -0.183525D+01  0.858926D+00  0.278737D+01
      2   0.186638D+01  0.261955D+01 -0.370549D+01 -0.229298D+01 -0.135439D+01
      3   0.739718D+01  0.160436D+02 -0.262223D+01 -0.202264D+01 -0.576653D+01
                81            82            83            84            85 
      1   0.527133D-02  0.217346D+00  0.925682D+00  0.268636D+00  0.601492D+00
      2   0.213916D+01 -0.287761D+01  0.131000D+00 -0.995870D+00  0.598250D+00
      3   0.100134D+01 -0.496770D-02 -0.781173D-01 -0.246257D+00  0.177084D+01
                86            87            88            89            90 
      1  -0.320607D+00 -0.144728D+01  0.214059D+00  0.365802D+01  0.940338D+00
      2  -0.149472D+01  0.130179D+01 -0.471797D+01  0.751947D+00 -0.108992D+02
      3  -0.681291D+00  0.119783D+01 -0.448527D+00  0.219555D+01 -0.545189D+00
                91            92            93            94            95 
      1  -0.176422D+01  0.858896D+00 -0.101072D+01  0.417479D+00 -0.141860D+01
      2   0.175005D+00  0.648770D+00  0.548542D+00  0.108917D+01 -0.649578D-01
      3   0.117499D+01 -0.199754D+01  0.116845D+01  0.272306D+00  0.849196D+00
                96            97            98            99           100 
      1  -0.226752D+00 -0.180293D+01  0.404363D+01 -0.714391D+01  0.194359D+01
      2   0.188985D+00 -0.377399D+01  0.373742D+00  0.371950D+01 -0.137023D+00
      3  -0.488807D+00  0.256744D+01 -0.186982D+01  0.116015D+01  0.813302D+01
               101           102           103           104           105 
      1  -0.192158D+01 -0.394522D+01 -0.759281D+00  0.675449D+01 -0.150012D+01
      2  -0.313310D+00  0.471514D+01  0.981201D+00 -0.103081D+01  0.110837D+01
      3  -0.972151D+01 -0.214074D+01 -0.454576D-01  0.947309D+01  0.285726D+01
               106           107           108           109           110 
      1  -0.231854D+01  0.490286D+01  0.326846D+01  0.307411D+01  0.121364D+01
      2  -0.151206D+01  0.607502D+00 -0.136553D+01  0.900354D+01 -0.351603D+01
      3  -0.512625D+01  0.493282D+01  0.184273D+01  0.637161D+01  0.734135D+01
               111           112           113           114           115 
      1  -0.101609D+01  0.141582D+01  0.158169D+01 -0.360112D+01 -0.106837D+01
      2   0.115201D+01 -0.413039D+01  0.844927D+01  0.644339D+01 -0.769397D+01
      3  -0.846204D-01  0.171583D+02 -0.624399D+00 -0.956506D+01  0.573357D+00
               116           117           118           119           120 
      1  -0.279349D+01 -0.216510D+01  0.439046D-01  0.107209D+01  0.397724D+00
      2   0.656247D+01 -0.350972D+01 -0.238167D+01 -0.285404D+00  0.827967D-02
      3  -0.913492D+01 -0.571894D+01  0.296172D+00  0.488848D-01  0.264337D+00
               121           122           123           124           125 
      1   0.280247D+00 -0.150309D+01 -0.169547D+00  0.176466D+00  0.469242D+01
      2  -0.284544D-01 -0.203443D+01  0.798277D+00 -0.572360D+01  0.419326D+00
      3   0.231878D+01 -0.163571D+01  0.161004D+01  0.621706D+00  0.238241D+01
               126           127           128           129           130 
      1  -0.889827D+00  0.131095D+01 -0.321878D+00 -0.349375D+01  0.754049D+00
      2  -0.118463D+02 -0.240196D+01 -0.205983D+00  0.456426D+01  0.471120D+00
      3  -0.167810D+01  0.561153D+01 -0.710237D+01 -0.229428D+01  0.396208D+01
               131           132           133           134           135 
      1   0.109390D+02 -0.224292D+01 -0.151101D+01  0.560844D+01  0.534615D+01
      2  -0.398654D+01  0.485615D+00 -0.623532D+00  0.171146D+00 -0.253399D+01
      3   0.870592D+01  0.433001D+01 -0.600996D+01  0.819874D+01  0.280475D+01
               136           137           138           139           140 
      1  -0.183719D+01  0.187791D+00 -0.984773D+00  0.580491D+00 -0.168343D+01
      2   0.125040D+01  0.675467D+00  0.162948D+01  0.885441D+00  0.690808D+00
      3   0.946676D+00 -0.183910D+01  0.164845D+01 -0.465797D-01  0.159625D+01
               141           142           143           144           145 
      1   0.491473D+00 -0.693180D+00  0.523887D+01 -0.835019D+01 -0.271722D+00
      2  -0.107040D+01 -0.351559D+01 -0.211986D+00  0.926031D+01  0.457100D+01
      3  -0.983332D+00  0.326019D+01 -0.178724D+01  0.237419D+01 -0.182332D+02
               146           147           148           149           150 
      1  -0.454097D+00  0.332224D+01 -0.284129D-01  0.188908D+00 -0.866657D+00
      2  -0.108227D+01  0.300556D+01 -0.737119D+00  0.716595D+00 -0.785578D+00
      3  -0.644000D+00  0.781193D+00  0.194031D+01 -0.223867D+01 -0.683773D+00
               151           152           153           154           155 
      1   0.126220D+01 -0.265568D+00 -0.775160D+00  0.851543D-02  0.348188D-01
      2   0.359166D+00 -0.832858D+00 -0.418566D+00 -0.218166D+01 -0.150865D+01
      3  -0.853131D+00 -0.639342D+00 -0.503980D+00 -0.742633D+01 -0.827967D+01
               156           157           158           159           160 
      1  -0.783267D+00  0.437865D+00 -0.896824D+00 -0.102526D+01 -0.337397D+00
      2   0.391996D+01 -0.225014D+01 -0.231730D+01  0.408766D+01  0.227707D+01
      3   0.165155D+01 -0.690128D+01 -0.137449D+02  0.228954D+01  0.288019D+01
               161           162           163           164           165 
      1   0.847007D+00  0.389204D+00 -0.158297D+01  0.181306D+01  0.174714D+01
      2   0.162127D+01 -0.147303D+01  0.188877D+00 -0.950502D-02 -0.647597D+00
      3   0.416018D+01 -0.140519D+01 -0.513533D+01  0.465780D+01  0.175634D+01
               166           167           168           169           170 
      1   0.101470D+01 -0.655210D+01 -0.536758D+01  0.430842D+00 -0.286427D+01
      2  -0.269363D-02  0.681991D+00  0.132260D+01 -0.112067D+01  0.100733D+01
      3   0.660532D+01 -0.133143D+02 -0.209883D+01  0.316626D+01 -0.378923D+01
               171           172           173           174           175 
      1  -0.147880D+01  0.242064D+01  0.306805D+01  0.181541D+01  0.122620D+01
      2   0.371847D+00 -0.386133D+00 -0.540513D+01  0.117276D+02 -0.427499D+01
      3  -0.164680D+01 -0.775147D+01 -0.998832D+01  0.232979D+01 -0.611099D+01
               176           177           178           179           180 
      1   0.352933D+01 -0.361076D+01  0.351439D+00  0.474811D+01  0.478933D+01
      2  -0.195300D+01  0.377904D+01  0.405620D+01 -0.318903D+00  0.118802D+02
      3  -0.544348D+01  0.120375D+00  0.155156D+01  0.538298D+00 -0.446410D-01
               181           182           183           184           185 
      1  -0.203477D+01 -0.159790D+01 -0.362003D+00 -0.176423D+01 -0.316991D+01
      2  -0.681861D+00  0.113699D+00  0.388384D+01  0.115738D+01 -0.264126D+01
      3  -0.794196D+01 -0.808557D+01  0.168943D+01 -0.653902D+01 -0.137758D+02
               186           187           188           189           190 
      1   0.516554D-01  0.274745D+00  0.231694D+01 -0.648477D+00  0.130863D+00
      2   0.413726D+01  0.178907D+01  0.197438D+01 -0.125310D+01 -0.301518D+01
      3   0.431921D+01  0.139556D+01  0.381914D+01 -0.269939D+01  0.234075D+01
               191           192           193           194           195 
      1  -0.111206D+01  0.842445D+00 -0.134433D+01  0.314387D+01 -0.243513D+01
      2   0.126015D+01  0.278847D+01  0.892901D+00 -0.585144D+01 -0.929167D+01
      3  -0.462234D+01 -0.105189D+01 -0.403207D+01  0.130093D+02  0.692188D+01
               196           197           198           199           200 
      1   0.392270D+00  0.166155D+01 -0.158937D+01 -0.248718D+00  0.176912D+01
      2   0.181040D+01 -0.612927D+01 -0.905960D+01  0.773445D+00 -0.180075D+00
      3  -0.126210D+01  0.661144D+01  0.586938D+01 -0.222789D+01  0.359819D+01
               201           202           203           204           205 
      1   0.169184D+01  0.341431D+00 -0.709796D+01 -0.619074D+01  0.179252D+00
      2  -0.209495D+00 -0.688667D+00  0.243537D+01  0.218640D+01 -0.101460D+01
      3   0.131729D+01  0.460070D+01 -0.150674D+02 -0.353862D+01  0.263035D+01
               206           207           208           209           210 
      1  -0.524995D+01 -0.325058D+01 -0.207386D+01 -0.298733D+01 -0.690430D+00
      2   0.240753D+01  0.126766D+01  0.609747D+01  0.448211D+01 -0.510922D+01
      3  -0.669824D+01 -0.316511D+01  0.744464D+01  0.588352D+01 -0.212492D+01
               211           212           213           214           215 
      1  -0.213818D+01 -0.293332D+01 -0.439094D+00  0.203572D+00  0.217044D+01
      2   0.424716D+01  0.700627D+01 -0.655642D+01 -0.316928D+01 -0.376756D+01
      3   0.698950D+01  0.863233D+01 -0.456625D+01 -0.154450D+01 -0.412992D+01
               216 
      1   0.440027D+00
      2   0.590869D+01
      3   0.347897D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.556461D+01 -0.601543D+01 -0.859526D+00 -0.293334D+01  0.512706D+01
      2  -0.234770D+01  0.923969D+01  0.322733D+00  0.538330D+01 -0.126256D+02
      3  -0.321691D+01 -0.322427D+01  0.536793D+00 -0.244996D+01  0.749857D+01
      4  -0.133068D+01 -0.508347D+01  0.184517D+00 -0.925760D+01  0.735898D+01
      5   0.113693D+01 -0.152018D+01 -0.328687D+01 -0.355492D+01  0.889029D+00
      6   0.176383D+01  0.218331D+01  0.542855D+01  0.263934D+01 -0.604779D+01
                 6             7             8             9            10 
      1   0.304124D+01  0.122001D+01  0.385301D+01  0.491995D+01 -0.248106D+02
      2  -0.694969D+00  0.305849D+01 -0.106048D+02  0.385961D+01  0.133337D+02
      3  -0.234628D+01 -0.427850D+01  0.675181D+01 -0.877955D+01  0.114769D+02
      4   0.159907D+01 -0.205863D+01  0.583826D+01  0.463497D+01  0.350632D+01
      5   0.335069D+01 -0.270275D+01  0.284125D+01 -0.163470D+02 -0.522625D-01
      6  -0.767382D+01  0.423445D+01 -0.379727D+01  0.200051D+02 -0.442811D+00
                11            12            13            14            15 
      1  -0.146165D+01  0.262899D+01  0.177872D+01  0.754465D+01  0.535547D-01
      2   0.318233D+01  0.859718D+00 -0.888126D+00 -0.185755D+01 -0.779648D+00
      3  -0.172068D+01 -0.348871D+01 -0.890594D+00 -0.568710D+01  0.726094D+00
      4  -0.383019D+00 -0.532238D-01  0.771599D+01  0.612715D+00 -0.176175D+01
      5  -0.473288D+00 -0.272395D+00  0.888698D+00 -0.886694D+00 -0.495909D+01
      6   0.222400D+00  0.217312D+01 -0.112633D+01 -0.289149D+00  0.128755D+00
                16            17            18            19            20 
      1  -0.397295D+01  0.160204D+01  0.131302D+02 -0.247371D+01  0.495472D+01
      2   0.238808D+01 -0.432603D+01  0.146110D+01  0.615516D+00 -0.926243D+01
      3   0.158487D+01  0.272399D+01 -0.145913D+02  0.185820D+01  0.430771D+01
      4   0.233309D+01 -0.251394D+01 -0.268194D+01 -0.144514D+01 -0.675515D+01
      5   0.733774D+01 -0.291407D+01  0.221618D+02  0.122573D+01  0.276205D+01
      6   0.757162D+00  0.559064D+00  0.543888D+01 -0.874488D+00  0.350489D+01
                21            22            23            24            25 
      1  -0.195765D+01  0.148173D+01 -0.243180D+01 -0.297593D+01  0.160160D+01
      2   0.235016D+00 -0.606394D+01 -0.778513D+00  0.241083D+01  0.325193D+01
      3   0.172264D+01  0.458221D+01  0.321031D+01  0.565104D+00 -0.485353D+01
      4   0.684549D+00 -0.112006D+02 -0.583235D+01  0.103783D+01  0.362139D+01
      5  -0.394427D+01  0.141244D+01  0.288634D+01 -0.606146D+00 -0.148255D+01
      6  -0.590549D+01  0.226949D+01  0.418004D+01 -0.230729D+01 -0.314856D+01
                26            27            28            29            30 
      1  -0.549421D+00 -0.209703D+01 -0.127441D+02  0.714207D+01 -0.745359D+00
      2   0.446429D+01  0.571860D+01  0.597237D+01 -0.835314D+01  0.137681D+01
      3  -0.391487D+01 -0.362157D+01  0.677174D+01  0.121107D+01 -0.631455D+00
      4   0.568156D+01 -0.378280D+00 -0.114278D+01 -0.177023D+01 -0.513199D+00
      5   0.105328D+01 -0.984862D+01 -0.232504D+01 -0.110000D+01 -0.212086D+01
      6   0.198649D+01 -0.155436D+02 -0.132637D+00 -0.241760D+01 -0.751618D+00
                31            32            33            34            35 
      1   0.378717D+01  0.102975D+02 -0.359689D+01 -0.480780D+01 -0.579403D+00
      2  -0.278249D+01 -0.104300D+02 -0.375064D+01  0.244755D+01 -0.423630D+00
      3  -0.100468D+01  0.132511D+00  0.734752D+01  0.236025D+01  0.100303D+01
      4  -0.287827D+01 -0.781537D+01 -0.500903D+01  0.398346D+01 -0.191550D+01
      5   0.183883D+01 -0.699037D+01 -0.767223D+01  0.745741D-01 -0.238128D+01
      6  -0.423953D+01  0.350911D+01 -0.101224D+01 -0.148081D+01  0.126202D+01
                36            37            38            39            40 
      1   0.164194D+02  0.126816D+02 -0.212190D+01  0.135446D+01 -0.107608D+01
      2   0.126924D+02 -0.792830D+01  0.152286D+01 -0.166630D+01  0.177287D+01
      3  -0.291118D+02 -0.475335D+01  0.599041D+00  0.311834D+00 -0.696787D+00
      4  -0.298970D+01 -0.862790D+01  0.132472D+02  0.187625D+00  0.131158D+02
      5   0.182718D+02  0.242810D+01  0.464845D+00  0.159977D+02 -0.142900D+01
      6   0.272105D+00  0.156026D+01  0.722850D+00  0.473355D+01  0.129802D+01
                41            42            43            44            45 
      1  -0.122762D+02  0.322061D+01  0.322424D+01  0.210788D+01 -0.496499D+01
      2   0.178595D+02  0.181712D+01 -0.402177D+01 -0.303585D+01 -0.338887D+01
      3  -0.558329D+01 -0.503773D+01  0.797530D+00  0.927969D+00  0.835386D+01
      4  -0.381225D+00  0.779402D+00 -0.537442D+01 -0.742000D+00 -0.182096D+01
      5   0.165645D+01  0.258780D+01  0.489588D+01 -0.142880D+01  0.135449D+01
      6  -0.321506D+00  0.596591D+01 -0.134576D+01  0.477365D+01  0.634147D+00
                46            47            48            49            50 
      1  -0.116397D+02  0.541853D+01  0.201867D+01 -0.344053D+01 -0.307893D+01
      2   0.102438D+02 -0.612429D+01  0.174536D+01 -0.383630D+01 -0.339754D+01
      3   0.139585D+01  0.705755D+00 -0.376402D+01  0.727684D+01  0.647647D+01
      4   0.618093D+01 -0.124126D+02 -0.208934D+01 -0.147047D+02 -0.881327D+01
      5   0.509587D+00 -0.255600D+00 -0.152864D+02  0.192534D+01  0.120813D+01
      6  -0.114125D+01  0.128202D+01 -0.863747D+01 -0.469220D-01  0.470840D+01
                51            52            53            54            55 
      1  -0.409809D+01  0.422795D+01 -0.359265D+01  0.463259D+01 -0.138307D+02
      2  -0.147594D+01  0.300633D+01  0.641133D+01  0.155361D+02  0.598538D+01
      3   0.557403D+01 -0.723428D+01 -0.281868D+01 -0.201687D+02  0.784532D+01
      4   0.164787D+01  0.236614D+01  0.499602D+01 -0.122447D-01  0.212658D+02
      5   0.216501D+01 -0.578630D+01  0.917073D+00 -0.198208D+02  0.128505D+01
      6  -0.222227D+01 -0.330849D+01  0.225628D+01 -0.194131D+02  0.218939D+01
                56            57            58            59            60 
      1   0.251498D+01 -0.773758D+00  0.283033D+01 -0.239819D+02 -0.732394D+01
      2  -0.766301D+00  0.142381D+01 -0.581736D+01  0.401392D+02  0.489150D+01
      3  -0.174867D+01 -0.650056D+00  0.298703D+01 -0.161573D+02  0.243244D+01
      4   0.144523D+01  0.617523D+00  0.108604D+02 -0.195511D+02 -0.442164D+01
      5  -0.529167D+00  0.356147D+01  0.204089D+01 -0.319235D+01 -0.240497D+01
      6  -0.871699D-02  0.745728D+00 -0.248248D+01  0.119790D+02  0.125687D+02
                61            62            63            64            65 
      1  -0.115223D+01 -0.958662D+01 -0.833472D+01  0.130771D+01  0.757249D+00
      2  -0.980024D+00  0.130545D+02  0.274574D+01 -0.315029D+01 -0.159275D+01
      3   0.213225D+01 -0.346785D+01  0.558898D+01  0.184259D+01  0.835506D+00
      4   0.652423D+01 -0.888705D+01 -0.505730D+01 -0.139241D+01  0.364589D+01
      5   0.541571D+01 -0.477002D+01 -0.328264D+01  0.414120D+01 -0.126366D+01
      6  -0.350271D+01  0.145991D+02  0.749477D+01 -0.339266D+01  0.302399D+00
                66            67            68            69            70 
      1   0.199524D+01  0.950587D+00 -0.357620D+01  0.277405D+01  0.156036D+01
      2  -0.245879D+01 -0.160220D+01  0.286547D+01 -0.289946D+01 -0.276482D+01
      3   0.463549D+00  0.651613D+00  0.710727D+00  0.125415D+00  0.120446D+01
      4  -0.304517D+01  0.320924D+01 -0.262988D+01  0.248993D+01 -0.468580D+01
      5   0.804271D+01 -0.153847D+00  0.242090D+01 -0.128024D+01  0.641050D+01
      6  -0.204696D+01  0.105176D+01 -0.409381D+01  0.746368D+01 -0.336427D+01
                71            72            73            74            75 
      1   0.433069D+01 -0.117665D+02  0.456532D+02 -0.138400D+02  0.231722D+01
      2  -0.369711D+01 -0.112592D+02 -0.274630D+02  0.677391D+01 -0.157737D+01
      3  -0.633584D+00  0.230256D+02 -0.181903D+02  0.706609D+01 -0.739847D+00
      4   0.416457D+01 -0.357953D+01 -0.172004D+02  0.271797D+01  0.305953D+01
      5  -0.239975D+01  0.172524D+02  0.456202D+01  0.407028D+01  0.917762D+01
      6   0.677890D+01 -0.218731D+02  0.487978D+00  0.224069D+00 -0.162799D+01
                76            77            78            79            80 
      1  -0.292188D+02 -0.776085D+01  0.348738D+01  0.155927D+02  0.319842D+01
      2   0.160137D+02  0.721240D+01 -0.149202D+01 -0.844387D+01 -0.144230D+01
      3   0.132051D+02  0.548448D+00 -0.199536D+01 -0.714886D+01 -0.175612D+01
      4  -0.241812D+01 -0.204642D+02  0.542655D+01  0.303280D+01  0.767297D+01
      5   0.442841D+01  0.657685D+01 -0.585280D+01  0.933731D+01 -0.287687D+01
      6   0.168924D+01  0.175986D+01  0.373178D+01 -0.100654D+01  0.229926D+01
                81            82            83            84            85 
      1   0.197798D+01  0.341055D+00  0.216216D+00 -0.552156D+01  0.797318D+00
      2  -0.493446D+01 -0.310909D+01  0.854488D-01  0.707489D+00 -0.410907D+00
      3   0.295647D+01  0.276803D+01 -0.301665D+00  0.481407D+01 -0.386410D+00
      4  -0.267345D+01 -0.239081D+00  0.173259D+00 -0.238261D+00  0.230953D+00
      5   0.253741D+01 -0.216291D+01 -0.265305D+00  0.311026D+01 -0.159478D+00
      6   0.438143D+00 -0.741990D+00  0.472212D+00 -0.690740D+00 -0.145927D-01
                86            87            88            89            90 
      1  -0.474311D+01  0.165034D+01 -0.742238D+01  0.159182D+01 -0.167334D+02
      2   0.875289D+00 -0.910327D-01  0.343210D+01  0.460714D+00 -0.132615D+02
      3   0.386782D+01 -0.155930D+01  0.399028D+01 -0.205254D+01  0.299950D+02
      4   0.142543D+01 -0.217499D+01 -0.931602D+00 -0.398303D+01  0.162292D+01
      5  -0.240528D+01  0.218988D+01  0.382717D+01  0.210315D+01 -0.203828D+02
      6  -0.158065D+01  0.735607D+01 -0.192890D+00  0.421133D+01 -0.480314D+01
                91            92            93            94            95 
      1   0.211528D+01 -0.199610D+01  0.195131D+01 -0.164250D+01 -0.531990D+00
      2  -0.326351D+01  0.271773D+01 -0.133030D+01  0.214263D+01 -0.109591D+01
      3   0.114823D+01 -0.721622D+00 -0.621012D+00 -0.500132D+00  0.162790D+01
      4   0.307286D+00  0.305604D+01  0.131009D+01  0.348124D+01  0.597203D+00
      5   0.337721D+01 -0.442751D+00  0.540949D+01 -0.147176D+00  0.203513D+01
      6   0.202479D+01 -0.117255D-01  0.172871D+01  0.593808D+00  0.138261D+01
                96            97            98            99           100 
      1  -0.107722D+01  0.182425D+01 -0.316066D+01 -0.855628D+01  0.117918D+02
      2   0.189842D+01 -0.351669D+01  0.473194D+01 -0.122232D+02 -0.231866D+01
      3  -0.821194D+00  0.169243D+01 -0.157128D+01  0.207795D+02 -0.947313D+01
      4   0.234948D+01  0.251014D+01  0.326477D+01  0.769095D+00  0.187759D+02
      5   0.279683D+00  0.562532D+01 -0.363705D+00  0.125167D+02 -0.425582D+01
      6   0.425530D+01  0.208335D+01  0.309411D+01  0.142588D+02 -0.536126D+01
               101           102           103           104           105 
      1  -0.856825D+01 -0.224656D+00 -0.323509D+01  0.815661D+01  0.569203D+01
      2   0.196012D+02  0.258208D+01  0.112377D+02 -0.782032D+01 -0.793617D+01
      3  -0.110330D+02 -0.235743D+01 -0.800258D+01 -0.336292D+00  0.224414D+01
      4   0.213698D+02 -0.359803D+01  0.183676D+02  0.118663D+02 -0.368065D+01
      5  -0.122820D+01  0.888756D+01 -0.954762D+00 -0.675632D+01  0.132495D+01
      6  -0.306410D+01  0.672854D+01 -0.208803D+01 -0.101383D+02  0.669525D+01
               106           107           108           109           110 
      1  -0.238558D+01  0.104858D+02 -0.151570D+01  0.930762D+01 -0.131167D+02
      2   0.685603D+00 -0.164436D+02 -0.223053D+01 -0.698868D+01  0.101135D+02
      3   0.169998D+01  0.595780D+01  0.374623D+01 -0.231895D+01  0.300321D+01
      4  -0.786598D+01 -0.100495D+02  0.563777D+01 -0.112429D+02 -0.132893D+02
      5   0.787414D+01  0.324511D+01 -0.349197D+01  0.753693D+01 -0.231802D+00
      6   0.715795D+01  0.884140D+01 -0.719910D+01 -0.169883D+01  0.539245D+01
               111           112           113           114           115 
      1   0.695932D+01 -0.139968D+02 -0.182005D+02  0.261556D+01  0.843428D+01
      2  -0.140653D+01  0.101744D+02  0.667656D+01 -0.597339D+01 -0.317193D+01
      3  -0.555279D+01  0.382244D+01  0.115239D+02  0.335783D+01 -0.526234D+01
      4  -0.208565D+01 -0.233210D+02  0.758471D+01  0.217179D+02 -0.210345D+01
      5  -0.769729D+01 -0.124995D+01  0.247002D+02  0.148361D+02 -0.269791D+02
      6   0.290573D+01  0.927219D+01 -0.903311D+01 -0.962896D+01  0.897849D+01
               116           117           118           119           120 
      1   0.335385D+01 -0.116868D+02  0.123661D+01 -0.198491D+00 -0.442955D+01
      2  -0.250282D+01  0.425751D+01 -0.437690D+01  0.171643D+00  0.102726D+01
      3  -0.851026D+00  0.742928D+01  0.314030D+01  0.268476D-01  0.340229D+01
      4   0.166098D+02  0.171516D+02 -0.211280D+00  0.143298D+01  0.968968D+00
      5   0.168927D+02 -0.168796D+01 -0.350052D+01  0.857596D-01  0.635051D+01
      6  -0.164119D+02 -0.503457D+01  0.497130D+00  0.618771D+00 -0.342965D+00
               121           122           123           124           125 
      1   0.517951D-01 -0.516496D+01  0.618729D+00 -0.437499D+01  0.111800D+01
      2  -0.417673D+00  0.925863D+00  0.175298D+01  0.506620D+01  0.808699D+00
      3   0.365878D+00  0.423910D+01 -0.237171D+01 -0.691216D+00 -0.192670D+01
      4   0.137462D+01  0.161284D+01 -0.193429D+01  0.113512D+01 -0.261774D+01
      5  -0.670418D+00 -0.257171D+01  0.200502D+01  0.737588D+01  0.118062D+01
      6   0.128146D+00 -0.318689D+00  0.757716D+01  0.633259D+00  0.525783D+01
               126           127           128           129           130 
      1  -0.213910D+02  0.108795D+02 -0.697751D+01 -0.249398D+01 -0.206492D+00
      2  -0.188350D+02  0.327645D+00  0.181143D+02  0.372930D+01  0.915560D+01
      3   0.402259D+02 -0.112071D+02 -0.111368D+02 -0.123532D+01 -0.894911D+01
      4   0.148855D+01  0.163945D+02  0.218460D+02 -0.293116D+01  0.191148D+02
      5  -0.203287D+02 -0.248554D+01  0.621323D+00  0.762166D+01 -0.157979D+00
      6   0.232008D+01 -0.339476D+01  0.131994D+01  0.626057D+01  0.639211D+00
               131           132           133           134           135 
      1   0.116244D+02  0.100408D+02 -0.505015D+01  0.164905D+02  0.436540D+00
      2  -0.107988D+02 -0.132720D+02  0.945680D+00 -0.282159D+02 -0.561353D+01
      3  -0.825632D+00  0.323120D+01  0.410447D+01  0.117254D+02  0.517699D+01
      4   0.114943D+02 -0.461723D+01 -0.950170D+01 -0.150570D+02  0.354452D+01
      5  -0.639619D+01  0.668939D+00  0.675119D+01  0.507592D+00 -0.428161D+01
      6  -0.183181D+02  0.414698D+01  0.559056D+01  0.357452D+01 -0.962739D+01
               136           137           138           139           140 
      1   0.185257D+01 -0.293908D+00  0.215615D+01 -0.117165D+01 -0.212882D+01
      2  -0.491290D+01  0.362076D+00 -0.270984D+01  0.200659D+01 -0.485432D+00
      3   0.306033D+01 -0.681677D-01  0.553684D+00 -0.834934D+00  0.261426D+01
      4   0.129905D+01  0.329851D+01  0.329630D+01  0.325098D+01  0.408348D+00
      5   0.560810D+01  0.982934D+00  0.985114D+01 -0.603581D+00  0.265052D+01
      6   0.340918D+01  0.912165D+00  0.253310D+01  0.916647D+00  0.204906D+01
               141           142           143           144           145 
      1  -0.884208D+00  0.622999D+00 -0.268910D+01 -0.146753D+02  0.229070D+02
      2   0.383964D+01 -0.421070D+01  0.360349D+01 -0.185607D+02 -0.444339D+01
      3  -0.295544D+01  0.358770D+01 -0.914396D+00  0.332360D+02 -0.184636D+02
      4   0.213873D+01  0.551350D+01  0.531342D+01  0.211386D+01 -0.357425D+02
      5  -0.239444D+01  0.983131D+01  0.173915D+01  0.212957D+02 -0.607763D+01
      6   0.493185D+01  0.407291D+01  0.588389D+01  0.200422D+02  0.198244D+01
               146           147           148           149           150 
      1  -0.252073D+01 -0.225934D+00 -0.197116D+01  0.925470D+00  0.465448D+00
      2  -0.795475D+01  0.334793D+00 -0.312601D+01  0.457579D+01 -0.256002D+00
      3   0.104755D+02 -0.108859D+00  0.509716D+01 -0.550126D+01 -0.209446D+00
      4   0.201673D+02  0.339264D+01  0.109871D+02 -0.729075D+01 -0.681021D+00
      5   0.284273D+01  0.497033D+01  0.118808D+01 -0.462082D+00 -0.166665D+01
      6  -0.272761D+01 -0.563783D+01 -0.123059D+01  0.342835D+00  0.168445D+01
               151           152           153           154           155 
      1   0.948246D+00  0.373677D+00  0.276150D+00  0.310031D+02  0.139014D+02
      2  -0.103860D+00 -0.935214D+00 -0.755993D+00 -0.158106D+02 -0.692952D+01
      3  -0.844385D+00  0.561537D+00  0.479843D+00 -0.151926D+02 -0.697185D+01
      4  -0.640389D+00  0.446778D+00 -0.355042D+01  0.147746D+02  0.141295D+02
      5   0.472762D+01 -0.221714D+01 -0.116048D+01 -0.558721D+01 -0.319736D+01
      6  -0.315822D+01  0.348967D+01  0.181524D+01 -0.105890D+01 -0.734110D+00
               156           157           158           159           160 
      1  -0.478592D+01  0.261832D+02  0.127389D+02 -0.389407D+01 -0.838866D+01
      2   0.219845D+01 -0.134242D+02 -0.431010D+01  0.188935D+01  0.507404D+01
      3   0.258746D+01 -0.127589D+02 -0.842879D+01  0.200472D+01  0.331462D+01
      4  -0.270516D+01  0.181098D+02  0.192939D+02 -0.467829D+01 -0.469332D+01
      5   0.702603D+01 -0.526833D+01 -0.510701D+01  0.662279D+01  0.871345D+01
      6   0.857207D+00 -0.170697D+01 -0.142941D+01  0.150255D+01  0.168508D+01
               161           162           163           164           165 
      1  -0.422749D+01  0.488266D+01 -0.187819D+01  0.781991D+01  0.146859D+00
      2   0.242115D+01 -0.407718D+01  0.325859D+01 -0.114347D+02 -0.152984D+01
      3   0.180634D+01 -0.805479D+00 -0.138040D+01  0.361478D+01  0.138298D+01
      4  -0.601660D+01  0.352355D+01 -0.175520D+01  0.646571D+00  0.115856D+01
      5   0.404184D+01 -0.349638D+01  0.550744D+00 -0.997958D+00 -0.104442D+01
      6   0.260038D+01 -0.126291D+01  0.138404D+01  0.256481D+00 -0.175099D+01
               166           167           168           169           170 
      1   0.389565D+01 -0.266793D+02 -0.190474D+01  0.119451D+01 -0.658918D+01
      2  -0.276552D+01  0.466138D+02  0.554589D+01 -0.857718D+00  0.111023D+02
      3  -0.113013D+01 -0.199345D+02 -0.364115D+01 -0.336793D+00 -0.451314D+01
      4   0.640828D+01  0.127421D+02  0.112284D+01  0.225644D+01  0.378977D+01
      5  -0.112395D+01  0.317652D+01  0.287615D+01  0.956602D+00  0.230477D+01
      6  -0.556338D+00  0.986667D+00  0.679492D+01 -0.377581D+00  0.667045D+01
               171           172           173           174           175 
      1  -0.449330D+01  0.298791D+02  0.821927D+01  0.368589D+01  0.125106D+02
      2   0.458953D+01 -0.180783D+02 -0.729661D+01 -0.584520D+01 -0.986560D+01
      3  -0.962336D-01 -0.118008D+02 -0.922651D+00  0.215931D+01 -0.264500D+01
      4   0.131865D+01 -0.421142D+01  0.138093D+02 -0.588494D+01  0.124627D+02
      5   0.691992D+00  0.158304D+02 -0.336201D+01  0.189115D+02 -0.147664D+01
      6   0.175776D+01 -0.607336D+00  0.767434D+01 -0.651748D+01  0.550064D+01
               176           177           178           179           180 
      1   0.127757D+02 -0.423632D+01  0.723713D+01 -0.744571D+01  0.804134D+01
      2  -0.534447D+01  0.176612D+01 -0.740505D+01  0.229907D+01 -0.173413D+02
      3  -0.743123D+01  0.247020D+01  0.167919D+00  0.514663D+01  0.929993D+01
      4   0.213695D+01  0.298784D+01 -0.735914D+01  0.156583D+01 -0.881025D+01
      5   0.431119D+01  0.363752D+01  0.290816D+02 -0.830384D+01  0.253172D+02
      6   0.329089D+01  0.137744D+01 -0.911393D+01  0.100771D+02 -0.225354D+01
               181           182           183           184           185 
      1   0.319222D+02  0.151277D+02 -0.670590D+01  0.258748D+02  0.128601D+02
      2  -0.171324D+02 -0.809869D+01  0.404825D+01 -0.145780D+02 -0.486034D+01
      3  -0.147899D+02 -0.702898D+01  0.265765D+01 -0.112967D+02 -0.799978D+01
      4   0.140107D+02  0.131499D+02 -0.254160D+01  0.157461D+02  0.197942D+02
      5  -0.104026D+02 -0.439517D+01  0.942486D+01 -0.738529D+01 -0.987110D+01
      6  -0.120690D+01 -0.253756D+01  0.215415D+00 -0.293422D+01 -0.231543D+01
               186           187           188           189           190 
      1  -0.427024D+01 -0.773198D+01 -0.208834D+01  0.606121D+01  0.127614D+02
      2   0.362976D+01  0.552547D+01  0.234949D+01 -0.546087D+01 -0.455836D+01
      3   0.640486D+00  0.220651D+01 -0.261152D+00 -0.600344D+00 -0.820305D+01
      4  -0.808687D+01 -0.235809D+01 -0.616875D+01  0.441368D+01 -0.125909D+02
      5   0.848469D+01  0.121224D+02  0.589945D+01 -0.616971D+01 -0.122350D+02
      6   0.261870D+01  0.810904D+00  0.385027D+01 -0.187670D+01  0.553092D+01
               191           192           193           194           195 
      1  -0.724096D+01 -0.796288D+01 -0.117555D+02  0.375578D+01  0.180358D+00
      2   0.160717D+01  0.397738D+01  0.202953D+01  0.840278D+01  0.286205D+01
      3   0.563379D+01  0.398550D+01  0.972601D+01 -0.121586D+02 -0.304241D+01
      4   0.134032D+02  0.693019D+01  0.236214D+02 -0.313594D+02 -0.175921D+02
      5   0.647480D+01  0.102309D+02  0.122213D+02 -0.187768D+02 -0.206480D+02
      6  -0.406387D+01 -0.393489D+01 -0.815926D+01  0.153638D+02  0.142067D+02
               196           197           198           199           200 
      1  -0.936050D+01 -0.241104D-01  0.145291D+01 -0.102376D+01  0.942746D+01
      2   0.545687D+01  0.131613D+01 -0.292840D+01  0.300921D+01 -0.129147D+02
      3   0.390363D+01 -0.129202D+01  0.147549D+01 -0.198545D+01  0.348721D+01
      4   0.105737D+02 -0.149042D+02 -0.153338D+02  0.120280D+01  0.327309D+01
      5   0.162582D+02 -0.162174D+02 -0.223933D+02  0.888630D+00 -0.187255D+00
      6  -0.705321D+01  0.125616D+02  0.136445D+02  0.187100D+01 -0.342396D+01
               201           202           203           204           205 
      1   0.225687D+01  0.337633D+01 -0.318507D+02 -0.705851D+01  0.191232D+01
      2  -0.303125D+01 -0.101795D+01  0.557500D+02  0.115590D+02 -0.999565D+00
      3   0.774374D+00 -0.235838D+01 -0.238993D+02 -0.450048D+01 -0.912751D+00
      4   0.128746D+01  0.718732D+01  0.195218D+02  0.328227D+01  0.342377D+01
      5   0.178646D+00  0.971951D-01  0.587008D+01  0.432903D+01  0.150693D+01
      6  -0.259857D+01 -0.262361D+00  0.146594D+02  0.102084D+02 -0.584272D-02
               206           207           208           209           210 
      1  -0.142453D+02 -0.773292D+01 -0.122702D+02 -0.970447D+01  0.697992D+01
      2   0.220817D+02  0.944503D+01  0.786900D+01  0.651426D+01 -0.189517D+01
      3  -0.783636D+01 -0.171211D+01  0.440122D+01  0.319021D+01 -0.508475D+01
      4   0.814448D+01  0.341792D+01  0.497185D+00 -0.557315D+01  0.274412D+01
      5   0.527189D+01  0.261909D+01 -0.167294D+01  0.128132D+01 -0.629174D+01
      6   0.142496D+02  0.733805D+01 -0.264715D+01 -0.609906D+01  0.613279D+01
               211           212           213           214           215 
      1  -0.135918D+02 -0.137641D+02  0.738915D+01  0.616447D+01  0.618141D+01
      2   0.812342D+01  0.126344D+02 -0.505957D+01 -0.274446D+01 -0.356842D+01
      3   0.546840D+01  0.112971D+01 -0.232958D+01 -0.342001D+01 -0.261298D+01
      4   0.143600D+01 -0.112298D+02  0.638135D+01  0.298746D+00  0.536717D+01
      5  -0.170589D+01  0.503456D+01 -0.787368D+01  0.172730D+01 -0.304249D+01
      6  -0.282770D+01 -0.101893D+02  0.843817D+01  0.213717D+01  0.687720D+01
               216 
      1  -0.748858D+01
      2   0.135950D+01
      3   0.612907D+01
      4  -0.274918D+01
      5   0.699632D+01
      6  -0.643627D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.136015D+01      0.345715D+01      0.115318D+02
   x         -0.950150D+00     -0.241504D+01     -0.805570D+01
   y         -0.753182D+00     -0.191440D+01     -0.638574D+01
   z         -0.616387D+00     -0.156670D+01     -0.522595D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.929469D+02      0.137733D+02      0.153249D+02
   aniso      0.213822D+02      0.316851D+01      0.352545D+01
   xx         0.102931D+03      0.152528D+02      0.169710D+02
   yx         0.159990D+01      0.237081D+00      0.263788D+00
   yy         0.962713D+02      0.142659D+02      0.158730D+02
   zx        -0.238553D+01     -0.353498D+00     -0.393320D+00
   zy         0.473170D+00      0.701166D-01      0.780152D-01
   zz         0.796384D+02      0.118012D+02      0.131306D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.102418D+03      0.151767D+02      0.168864D+02
   aniso      0.216639D+02      0.321026D+01      0.357190D+01
   xx         0.112900D+03      0.167301D+02      0.186147D+02
   yx         0.108248D+01      0.160408D+00      0.178477D+00
   yy         0.105545D+03      0.156401D+02      0.174020D+02
   zx        -0.167683D+01     -0.248481D+00     -0.276472D+00
   zy         0.136336D+00      0.202029D-01      0.224788D-01
   zz         0.888082D+02      0.131600D+02      0.146425D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.39912675         -2.33431250         -0.04836402
     6         -2.30070132         -0.37188228          1.83434586
     6          0.29378760         -1.13896378         -2.03439620
     6          2.43542261          0.33495594         -0.77793958
     8          1.42932261          2.10928497          1.00144991
     6         -0.02703671          0.99390709          2.94675882
     8         -3.44426995         -3.50862369         -1.33194071
     1         -0.29941926         -3.76670575          0.97659628
     8         -3.71124891         -1.65924929          3.71916855
     1         -3.47132257          1.03635577          0.86578007
     1         -0.83204797          0.17328991         -3.17245860
     8          1.41355402         -3.01318805         -3.58987134
     6          3.98327536          1.87221410         -2.64395036
     1          3.68737216         -1.01074969          0.18802768
     8         -0.93666660          2.89708927          4.52422072
     1          1.15953638         -0.35088512          4.00280117
     1         -4.57680800         -4.18144818         -0.07174569
     1         -4.31416890         -0.42232833          4.91377704
     1          0.06420821         -4.05384447         -4.23818998
     8          2.52259535          3.76229577         -3.85298949
     1          4.69744744          0.62466809         -4.11594978
     1          5.59227212          2.70631076         -1.63962307
     1          0.46053870          3.65610318          5.41331163
     1          1.73239876          4.75285329         -2.54136350

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.136015D+01      0.345715D+01      0.115318D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.136015D+01      0.345715D+01      0.115318D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.929469D+02      0.137733D+02      0.153249D+02
   aniso      0.213822D+02      0.316851D+01      0.352545D+01
   xx         0.929163D+02      0.137688D+02      0.153198D+02
   yx         0.641705D+01      0.950909D+00      0.105803D+01
   yy         0.898541D+02      0.133150D+02      0.148149D+02
   zx        -0.885236D+01     -0.131178D+01     -0.145956D+01
   zy         0.481622D+01      0.713690D+00      0.794088D+00
   zz         0.960701D+02      0.142361D+02      0.158398D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.102418D+03      0.151767D+02      0.168864D+02
   aniso      0.216639D+02      0.321026D+01      0.357190D+01
   xx         0.101846D+03      0.150921D+02      0.167922D+02
   yx         0.688085D+01      0.101964D+01      0.113450D+01
   yy         0.998658D+02      0.147986D+02      0.164656D+02
   zx        -0.915227D+01     -0.135623D+01     -0.150901D+01
   zy         0.412720D+01      0.611588D+00      0.680484D+00
   zz         0.105541D+03      0.156396D+02      0.174014D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-F15-07\Freq\RLC-PBEPBE\Gen\C6H12O6\PIERPA\27-Sep-2021\0\\
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=029600000
 0,3/108=0296000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )\\ROA calculations.\\0,1\C,-0.802701,1.185868,-0.155223\C,-1.539114,-
 0.058168,0.301617\C,0.694862,1.030292,0.045515\C,1.190748,-0.254953,-0
 .615577\O,0.429294,-1.375454,-0.15044\C,-0.958807,-1.274656,-0.405424\
 O,-1.212443,2.340377,0.564498\H,-0.996847,1.328656,-1.227279\O,-2.9129
 81,0.125709,-0.006195\H,-1.394142,-0.197407,1.379285\H,0.904711,0.9744
 87,1.119148\O,1.399422,2.110875,-0.54461\C,2.641121,-0.568017,-0.28980
 7\H,1.08413,-0.152517,-1.704362\O,-1.593558,-2.403373,0.110234\H,-1.12
 1572,-1.189787,-1.491375\H,-2.171127,2.411548,0.483789\H,-3.392257,-0.
 655851,0.29266\H,1.01823,2.925417,-0.195277\O,2.840914,-0.797107,1.093
 949\H,3.260544,0.283592,-0.56638\H,2.952873,-1.437215,-0.881027\H,-1.3
 24223,-3.177621,-0.397061\H,2.217854,-1.483716,1.361779\\Version=ES64L
 -G16RevA.03\State=1-A\HF=-687.5104765\RMSD=6.288e-09\RMSF=2.732e-06\Ze
 roPoint=0.1968282\Thermal=0.2092574\Dipole=-0.9501496,-0.7531816,-0.61
 63874\DipoleDeriv=0.235214,-0.2172807,-0.0816578,-0.1779077,0.6014687,
 0.1719895,-0.0890753,0.1755434,0.3863574,0.7501769,-0.0814836,0.044667
 8,0.0245284,0.0629058,-0.0140859,0.0925567,-0.0344353,0.2324291,0.3286
 5,0.3036416,-0.025058,0.1610607,0.5252106,-0.1434524,-0.0561575,-0.157
 4666,0.2553592,0.4173941,0.2130642,-0.089389,0.275651,0.5046194,-0.060
 4764,-0.137275,-0.0709772,0.3302728,-1.3142846,-0.317444,0.0331607,-0.
 1623555,-0.7063111,0.0582423,-0.0178617,0.0251237,-0.4035052,1.207599,
 0.3399787,0.0022001,0.2579835,0.9184611,-0.0955028,0.0554757,-0.077649
 8,0.5318508,-0.491035,0.2183993,0.1381657,0.2065914,-0.9038502,-0.1340
 669,0.165862,-0.1763689,-0.5091372,0.0129993,0.0103656,-0.0164657,0.02
 14712,-0.0242701,-0.0090493,-0.0066369,-0.0271311,-0.1584928,-1.064472
 8,0.0219309,0.0000134,0.0454041,-0.3821165,-0.0865413,-0.0444955,-0.07
 56549,-0.4210772,-0.0373739,0.0080187,-0.0296722,0.0169611,0.027097,0.
 0159155,-0.0508769,0.0219773,-0.1110607,0.0219227,-0.0419252,0.0005811
 ,-0.035129,0.0021966,0.0207613,0.0130192,0.0449758,-0.1114999,-0.60052
 18,-0.2434437,-0.0064443,-0.2900551,-0.8038254,0.1477502,0.0114688,0.1
 812786,-0.409502,0.3336403,-0.1148206,0.0594048,-0.0893998,0.296729,-0
 .0603817,0.1137513,-0.0603165,0.7071393,-0.0068725,0.0086989,-0.066891
 9,-0.0363355,-0.0065344,0.0079488,0.01682,0.0260188,-0.1612173,-0.6388
 792,-0.2569953,-0.0323584,-0.3469096,-0.925953,0.1348294,0.0403986,0.2
 001341,-0.3763499,-0.0532635,-0.0365121,0.0037185,0.0121454,-0.0319038
 ,0.0272993,-0.0454832,0.0324115,-0.1864809,0.1996732,-0.0214902,-0.031
 675,-0.0475777,0.3518783,-0.0172388,-0.0413005,-0.0242205,0.2769001,0.
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 @


 At the touch of love, everyone becomves a poet.
                                -- Plato
 Job cpu time:       0 days 12 hours  2 minutes  3.7 seconds.
 Elapsed time:       0 days  1 hours 30 minutes 18.2 seconds.
 File lengths (MBytes):  RWF=    462 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Mon Sep 27 16:03:14 2021.
